bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine

C148H260N20O4 — CID 158765102

IUPACbis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine
SMILESCC(C)(C)CNC(=O)OC(C)(C)C.CC(C)CNC(=O)OC(C)(C)C.CC1CCN(Cc2ccccc2)CC1.CC1CCNCC1.CCCCN(C)CCc1ccccc1.CCCCN(C)CCc1ccccn1.CCCCN(C)CCc1ccncc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1cccnc1.CCCCN(CC)Cc1ccncc1.CCCCNC.CCCN1CCN(Cc2ccccc2)CC1.CCCN1CCNCC1
InChIInChI=1S/C14H22N2.C13H19N.C13H21N.3C12H20N2.2C12H19N.C11H18N2.C10H21NO2.C9H19NO2.C7H16N2.C6H13N.C5H13N/c1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-3-4-11-14(2)12-10-13-8-6-5-7-9-13;1-3-4-10-14(2)11-7-12-5-8-13-9-6-12;1-3-4-10-14(2)11-8-12-7-5-6-9-13-12;1-3-5-10-14(4-2)11-12-6-8-13-9-7-12;2*1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-3-4-8-13(2)10-11-6-5-7-12-9-11;1-9(2,3)7-11-8(12)13-10(4,5)6;1-7(2)6-10-8(11)12-9(3,4)5;1-2-5-9-6-3-8-4-7-9;1-6-2-4-7-5-3-6;1-3-4-5-6-2/h3-7H,2,8-13H2,1H3;2-6,12H,7-11H2,1H3;5-9H,3-4,10-12H2,1-2H3;5-6,8-9H,3-4,7,10-11H2,1-2H3;5-7,9H,3-4,8,10-11H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;2*5-9H,3-4,10-11H2,1-2H3;5-7,9H,3-4,8,10H2,1-2H3;7H2,1-6H3,(H,11,12);7H,6H2,1-5H3,(H,10,11);8H,2-7H2,1H3;6-7H,2-5H2,1H3;6H,3-5H2,1-2H3
InChIKeyIPDSUAYHMOGJER-UHFFFAOYSA-N
MW2383.84 g/mol
LogP30.70
Rot. Bonds53

About bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine

bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine (PubChem CID 158765102) has the molecular formula C148H260N20O4 and a molecular weight of 2383.84 g/mol. Its IUPAC name is bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine.

Molecular Properties

Compound Namebis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine
PubChem CID158765102
Molecular FormulaC148H260N20O4
Molecular Weight2383.84 g/mol
Exact Mass2382.08
IUPAC Namebis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine
SMILESCC(C)(C)CNC(=O)OC(C)(C)C.CC(C)CNC(=O)OC(C)(C)C.CC1CCN(Cc2ccccc2)CC1.CC1CCNCC1.CCCCN(C)CCc1ccccc1.CCCCN(C)CCc1ccccn1.CCCCN(C)CCc1ccncc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1cccnc1.CCCCN(CC)Cc1ccncc1.CCCCNC.CCCN1CCN(Cc2ccccc2)CC1.CCCN1CCNCC1
InChIInChI=1S/C14H22N2.C13H19N.C13H21N.3C12H20N2.2C12H19N.C11H18N2.C10H21NO2.C9H19NO2.C7H16N2.C6H13N.C5H13N/c1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-3-4-11-14(2)12-10-13-8-6-5-7-9-13;1-3-4-10-14(2)11-7-12-5-8-13-9-6-12;1-3-4-10-14(2)11-8-12-7-5-6-9-13-12;1-3-5-10-14(4-2)11-12-6-8-13-9-7-12;2*1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-3-4-8-13(2)10-11-6-5-7-12-9-11;1-9(2,3)7-11-8(12)13-10(4,5)6;1-7(2)6-10-8(11)12-9(3,4)5;1-2-5-9-6-3-8-4-7-9;1-6-2-4-7-5-3-6;1-3-4-5-6-2/h3-7H,2,8-13H2,1H3;2-6,12H,7-11H2,1H3;5-9H,3-4,10-12H2,1-2H3;5-6,8-9H,3-4,7,10-11H2,1-2H3;5-7,9H,3-4,8,10-11H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;2*5-9H,3-4,10-11H2,1-2H3;5-7,9H,3-4,8,10H2,1-2H3;7H2,1-6H3,(H,11,12);7H,6H2,1-5H3,(H,10,11);8H,2-7H2,1H3;6-7H,2-5H2,1H3;6H,3-5H2,1-2H3
InChIKeyIPDSUAYHMOGJER-UHFFFAOYSA-N
XLogP30.70
TPSA199.95 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds53
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.84
LogP ≤ 530.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine?
The IUPAC name of bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine (CID 158765102) is bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine.
What is the SMILES notation for bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine?
The canonical SMILES for bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine is CC(C)(C)CNC(=O)OC(C)(C)C.CC(C)CNC(=O)OC(C)(C)C.CC1CCN(Cc2ccccc2)CC1.CC1CCNCC1.CCCCN(C)CCc1ccccc1.CCCCN(C)CCc1ccccn1.CCCCN(C)CCc1ccncc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1ccccc1.CCCCN(C)Cc1cccnc1.CCCCN(CC)Cc1ccncc1.CCCCNC.CCCN1CCN(Cc2ccccc2)CC1.CCCN1CCNCC1.
What is the InChIKey of bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine?
The InChIKey is IPDSUAYHMOGJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H19N.C13H21N.3C12H20N2.2C12H19N.C11H18N2.C10H21NO2.C9H19NO2.C7H16N2.C6H13N.C5H13N/c1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-3-4-11-14(2)12-10-13-8-6-5-7-9-13;1-3-4-10-14(2)11-7-12-5-8-13-9-6-12;1-3-4-10-14(2)11-8-12-7-5-6-9-13-12;1-3-5-10-14(4-2)11-12-6-8-13-9-7-12;2*1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-3-4-8-13(2)10-11-6-5-7-12-9-11;1-9(2,3)7-11-8(12)13-10(4,5)6;1-7(2)6-10-8(11)12-9(3,4)5;1-2-5-9-6-3-8-4-7-9;1-6-2-4-7-5-3-6;1-3-4-5-6-2/h3-7H,2,8-13H2,1H3;2-6,12H,7-11H2,1H3;5-9H,3-4,10-12H2,1-2H3;5-6,8-9H,3-4,7,10-11H2,1-2H3;5-7,9H,3-4,8,10-11H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;2*5-9H,3-4,10-11H2,1-2H3;5-7,9H,3-4,8,10H2,1-2H3;7H2,1-6H3,(H,11,12);7H,6H2,1-5H3,(H,10,11);8H,2-7H2,1H3;6-7H,2-5H2,1H3;6H,3-5H2,1-2H3.
What are the key properties of bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine?
bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine has a molecular weight of 2383.84 g/mol, XLogP of 30.70, 53 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-N-methylbutan-1-amine);1-benzyl-4-methylpiperidine;1-benzyl-4-propylpiperazine;tert-butyl N-(2,2-dimethylpropyl)carbamate;tert-butyl N-(2-methylpropyl)carbamate;N-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine;N-methylbutan-1-amine;N-methyl-N-(2-phenylethyl)butan-1-amine;4-methylpiperidine;N-methyl-N-(2-pyridin-2-ylethyl)butan-1-amine;N-methyl-N-(2-pyridin-4-ylethyl)butan-1-amine;N-methyl-N-(pyridin-3-ylmethyl)butan-1-amine;1-propylpiperazine is sourced from PubChem (CID 158765102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).