3-(aminomethyl)-N,N-dibenzylpentanamide

C20H26N2O — CID 130162934

IUPAC3-(aminomethyl)-N,N-dibenzylpentanamide
SMILESCCC(CN)CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-17(14-21)13-20(23)22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17H,2,13-16,21H2,1H3
InChIKeyLQUIGROURLWNJO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.59
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibenzylpentanamide

3-(aminomethyl)-N,N-dibenzylpentanamide (PubChem CID 130162934) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibenzylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibenzylpentanamide
PubChem CID130162934
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(aminomethyl)-N,N-dibenzylpentanamide
SMILESCCC(CN)CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-17(14-21)13-20(23)22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17H,2,13-16,21H2,1H3
InChIKeyLQUIGROURLWNJO-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
2-amino-N,N-dibenzylacetamide
CID 11107897
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
(2R)-2-benzylbutan-1-amine
CID 42325983

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibenzylpentanamide?
The IUPAC name of 3-(aminomethyl)-N,N-dibenzylpentanamide (CID 130162934) is 3-(aminomethyl)-N,N-dibenzylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibenzylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N,N-dibenzylpentanamide is CCC(CN)CC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-N,N-dibenzylpentanamide?
The InChIKey is LQUIGROURLWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-17(14-21)13-20(23)22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17H,2,13-16,21H2,1H3.
What are the key properties of 3-(aminomethyl)-N,N-dibenzylpentanamide?
3-(aminomethyl)-N,N-dibenzylpentanamide has a molecular weight of 310.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibenzylpentanamide is sourced from PubChem (CID 130162934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).