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

C17H28N2O — CID 107471113

IUPAC2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
SMILESCCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-5-19(13-14-9-7-6-8-10-14)16(20)15(12-18)11-17(2,3)4/h6-10,15H,5,11-13,18H2,1-4H3
InChIKeyUMOIBJYVSUDCPN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

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

2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide (PubChem CID 107471113) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
PubChem CID107471113
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
SMILESCCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-5-19(13-14-9-7-6-8-10-14)16(20)15(12-18)11-17(2,3)4/h6-10,15H,5,11-13,18H2,1-4H3
InChIKeyUMOIBJYVSUDCPN-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
CID 136558524
2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
CID 107471648
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide (CID 107471113) is 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide is CCN(Cc1ccccc1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide?
The InChIKey is UMOIBJYVSUDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19(13-14-9-7-6-8-10-14)16(20)15(12-18)11-17(2,3)4/h6-10,15H,5,11-13,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide?
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.05, 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-ethyl-4,4-dimethylpentanamide is sourced from PubChem (CID 107471113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).