N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide

C15H24N2O — CID 43248613

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-12(2)7-8-15(18)17(3)11-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,10-11,16H2,1-3H3
InChIKeyUXQNNCUDNKDXJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide

N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide (PubChem CID 43248613) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
PubChem CID43248613
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-12(2)7-8-15(18)17(3)11-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,10-11,16H2,1-3H3
InChIKeyUXQNNCUDNKDXJS-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
CID 63834740
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide (CID 43248613) is N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide?
The InChIKey is UXQNNCUDNKDXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)7-8-15(18)17(3)11-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,10-11,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 43248613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).