N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine

C32H70N4O2 — CID 159590827

IUPACN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1CCCCC1COC(C)(C)C
InChIInChI=1S/C12H25NO.C11H23NO.C9H22N2/c1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-9(2,3)10-7-6-8-11(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,6-8H2,1-5H3
InChIKeyMKFFACZTASQTBI-UHFFFAOYSA-N
MW542.94 g/mol
LogP6.15
Rot. Bonds9

About N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine

N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 159590827) has the molecular formula C32H70N4O2 and a molecular weight of 542.94 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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID159590827
Molecular FormulaC32H70N4O2
Molecular Weight542.94 g/mol
Exact Mass542.55
IUPAC NameN-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1CCCCC1COC(C)(C)C
InChIInChI=1S/C12H25NO.C11H23NO.C9H22N2/c1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-9(2,3)10-7-6-8-11(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,6-8H2,1-5H3
InChIKeyMKFFACZTASQTBI-UHFFFAOYSA-N
XLogP6.15
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.94
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;bis(1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine);bis(1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine);(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3R)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3S)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;hexakis((2-methylpropan-2-yl)oxymethylcyclopentane)
CID 158658379
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
methane;2-methoxy-N,N-dimethylethanamine;2-(methoxymethyl)-1-methylpyrrolidine
CID 159485397
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054

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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 159590827) is N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine is CCN1CCCC(COC(C)(C)C)C1.CN(C)CCCNC(C)(C)C.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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is MKFFACZTASQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C11H23NO.C9H22N2/c1-5-13-8-6-7-11(9-13)10-14-12(2,3)4;1-11(2,3)13-9-10-7-5-6-8-12(10)4;1-9(2,3)10-7-6-8-11(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,6-8H2,1-5H3.
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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 542.94 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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-methyl-2-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 159590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).