N-(2-aminoethyl)-N-benzyl-4-methylpentanamide

C15H24N2O — CID 61014679

IUPACN-(2-aminoethyl)-N-benzyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(2)8-9-15(18)17(11-10-16)12-14-6-4-3-5-7-14/h3-7,13H,8-12,16H2,1-2H3
InChIKeyQSISSVXPHMXZEP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds7

About N-(2-aminoethyl)-N-benzyl-4-methylpentanamide

N-(2-aminoethyl)-N-benzyl-4-methylpentanamide (PubChem CID 61014679) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-methylpentanamide
PubChem CID61014679
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(2)8-9-15(18)17(11-10-16)12-14-6-4-3-5-7-14/h3-7,13H,8-12,16H2,1-2H3
InChIKeyQSISSVXPHMXZEP-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methylpentanamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methylpentanamide (CID 61014679) is N-(2-aminoethyl)-N-benzyl-4-methylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-methylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-methylpentanamide is CC(C)CCC(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-methylpentanamide?
The InChIKey is QSISSVXPHMXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)8-9-15(18)17(11-10-16)12-14-6-4-3-5-7-14/h3-7,13H,8-12,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-methylpentanamide?
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-methylpentanamide is sourced from PubChem (CID 61014679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).