2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide

C18H28N2O — CID 107471215

IUPAC2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20(16-9-10-16)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13,19H2,1-3H3
InChIKeyRXOZDFKMMNLCJA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.19
Rot. Bonds6

About 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide

2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide (PubChem CID 107471215) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
PubChem CID107471215
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20(16-9-10-16)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13,19H2,1-3H3
InChIKeyRXOZDFKMMNLCJA-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.19
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-4,4-dimethyl-N-propylpentanamide
CID 107471232
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide (CID 107471215) is 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide?
The InChIKey is RXOZDFKMMNLCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20(16-9-10-16)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide?
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide has a molecular weight of 288.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide is sourced from PubChem (CID 107471215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).