2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine

C18H31N3 — CID 79008803

IUPAC2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)C1CCCN(C)C1
InChIInChI=1S/C18H31N3/c1-4-18(15-19,13-16-9-6-5-7-10-16)21(3)17-11-8-12-20(2)14-17/h5-7,9-10,17H,4,8,11-15,19H2,1-3H3
InChIKeyJGNZVMUYRUZVBI-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.36
Rot. Bonds6

About 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine

2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (PubChem CID 79008803) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
PubChem CID79008803
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)C1CCCN(C)C1
InChIInChI=1S/C18H31N3/c1-4-18(15-19,13-16-9-6-5-7-10-16)21(3)17-11-8-12-20(2)14-17/h5-7,9-10,17H,4,8,11-15,19H2,1-3H3
InChIKeyJGNZVMUYRUZVBI-UHFFFAOYSA-N
XLogP2.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine
CID 55084420
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 79008023
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
2-benzyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-1-amine
CID 79008804
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
CID 63193569
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
2-N-cyclopentyl-2-N-ethyl-2-methyl-3-phenylpropane-1,2-diamine
CID 55150298
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine
CID 115559301
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-phenylpentane-1,2-diamine
CID 62546049

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (CID 79008803) is 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The InChIKey is JGNZVMUYRUZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-18(15-19,13-16-9-6-5-7-10-16)21(3)17-11-8-12-20(2)14-17/h5-7,9-10,17H,4,8,11-15,19H2,1-3H3.
What are the key properties of 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is sourced from PubChem (CID 79008803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).