N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine

C18H31N3 — CID 62654308

IUPACN'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCC1CCCCN1C)Cc1ccccc1
InChIInChI=1S/C18H31N3/c1-20(16-17-9-4-3-5-10-17)13-8-12-19-15-18-11-6-7-14-21(18)2/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3
InChIKeyYFEIDUMYARKVRC-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.58
Rot. Bonds8

About N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine (PubChem CID 62654308) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
PubChem CID62654308
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCC1CCCCN1C)Cc1ccccc1
InChIInChI=1S/C18H31N3/c1-20(16-17-9-4-3-5-10-17)13-8-12-19-15-18-11-6-7-14-21(18)2/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3
InChIKeyYFEIDUMYARKVRC-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
N',N'-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 3072404
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine (CID 62654308) is N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine is CN(CCCNCC1CCCCN1C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is YFEIDUMYARKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-20(16-17-9-4-3-5-10-17)13-8-12-19-15-18-11-6-7-14-21(18)2/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3.
What are the key properties of N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62654308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).