N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine

C106H225N11O9 — CID 158116640

IUPACN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCCN1CCC(OC(C)(C)C)CC1.CCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1C(C)(C)CC(OC(C)(C)C)CC1(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)C1.CN1CCC(OC(C)(C)C)CC1.CN1CCCC(COC(C)(C)C)C1.CN1CCCCC1COC(C)(C)C
InChIInChI=1S/C14H29NO.C12H25NO.4C11H23NO.C10H21NO.C9H22N2.C9H19NO.C8H17NO/c1-12(2,3)16-11-9-13(4,5)15(8)14(6,7)10-11;1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)13-9-10-6-5-7-12(4)8-10;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-5-12-8-6-10(7-9-12)13-11(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)11-8-5-6-10(4)7-8;1-8(2,3)10-7-5-9(4)6-7/h11H,9-10H2,1-8H3;11H,5-10H2,1-4H3;4*10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;10H,6-8H2,1-5H3;8H,5-7H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyFRBZNCFJNJKRRE-UHFFFAOYSA-N
MW1798.03 g/mol
LogP20.69
Rot. Bonds19

About N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine

N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 158116640) has the molecular formula C106H225N11O9 and a molecular weight of 1798.03 g/mol. Its IUPAC name is N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID158116640
Molecular FormulaC106H225N11O9
Molecular Weight1798.03 g/mol
Exact Mass1796.75
IUPAC NameN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCCN1CCC(OC(C)(C)C)CC1.CCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1C(C)(C)CC(OC(C)(C)C)CC1(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)C1.CN1CCC(OC(C)(C)C)CC1.CN1CCCC(COC(C)(C)C)C1.CN1CCCCC1COC(C)(C)C
InChIInChI=1S/C14H29NO.C12H25NO.4C11H23NO.C10H21NO.C9H22N2.C9H19NO.C8H17NO/c1-12(2,3)16-11-9-13(4,5)15(8)14(6,7)10-11;1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)13-9-10-6-5-7-12(4)8-10;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-5-12-8-6-10(7-9-12)13-11(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)11-8-5-6-10(4)7-8;1-8(2,3)10-7-5-9(4)6-7/h11H,9-10H2,1-8H3;11H,5-10H2,1-4H3;4*10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;10H,6-8H2,1-5H3;8H,5-7H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyFRBZNCFJNJKRRE-UHFFFAOYSA-N
XLogP20.69
TPSA127.50 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001798.03
LogP ≤ 520.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 158116640) is N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine is CCN1CCC(OC(C)(C)C)CC1.CCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1C(C)(C)CC(OC(C)(C)C)CC1(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)C1.CN1CCC(OC(C)(C)C)CC1.CN1CCCC(COC(C)(C)C)C1.CN1CCCCC1COC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is FRBZNCFJNJKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C12H25NO.4C11H23NO.C10H21NO.C9H22N2.C9H19NO.C8H17NO/c1-12(2,3)16-11-9-13(4,5)15(8)14(6,7)10-11;1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)13-9-10-6-5-7-12(4)8-10;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-5-12-8-6-10(7-9-12)13-11(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)11-8-5-6-10(4)7-8;1-8(2,3)10-7-5-9(4)6-7/h11H,9-10H2,1-8H3;11H,5-10H2,1-4H3;4*10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;10H,6-8H2,1-5H3;8H,5-7H2,1-4H3;7H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 1798.03 g/mol, XLogP of 20.69, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-ethyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;1,2,2,6,6-pentamethyl-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 158116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).