2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide

C17H28N2O — CID 107472030

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
SMILESCCC(NC(=O)C(CN)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-15(13-9-7-6-8-10-13)19-16(20)14(12-18)11-17(2,3)4/h6-10,14-15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyVSJRXDGUWYVVCN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.27
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide (PubChem CID 107472030) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
PubChem CID107472030
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
SMILESCCC(NC(=O)C(CN)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-15(13-9-7-6-8-10-13)19-16(20)14(12-18)11-17(2,3)4/h6-10,14-15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyVSJRXDGUWYVVCN-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
CID 107472103
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 107472241
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]butanoic acid
CID 10314896
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide (CID 107472030) is 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide is CCC(NC(=O)C(CN)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide?
The InChIKey is VSJRXDGUWYVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15(13-9-7-6-8-10-13)19-16(20)14(12-18)11-17(2,3)4/h6-10,14-15H,5,11-12,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide is sourced from PubChem (CID 107472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).