2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide

C18H30N2O — CID 107471232

IUPAC2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
SMILESCCCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-5-11-20(14-15-9-7-6-8-10-15)17(21)16(13-19)12-18(2,3)4/h6-10,16H,5,11-14,19H2,1-4H3
InChIKeyZXLRAZUPJHCIPU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide

2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide (PubChem CID 107471232) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
PubChem CID107471232
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
SMILESCCCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-5-11-20(14-15-9-7-6-8-10-15)17(21)16(13-19)12-18(2,3)4/h6-10,16H,5,11-14,19H2,1-4H3
InChIKeyZXLRAZUPJHCIPU-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
2-amino-N-benzyl-N-propyl-2-thiophen-2-ylacetamide
CID 115286106
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
4-[benzyl(2-ethylbutanoyl)amino]butanoic acid
CID 120606664
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide (CID 107471232) is 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide is CCCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide?
The InChIKey is ZXLRAZUPJHCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-11-20(14-15-9-7-6-8-10-15)17(21)16(13-19)12-18(2,3)4/h6-10,16H,5,11-14,19H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide?
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide is sourced from PubChem (CID 107471232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).