3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide

C16H26N2O — CID 81087736

IUPAC3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-14(10-17)9-16(19)18(4)11-15-7-6-12(2)8-13(15)3/h6-8,14H,5,9-11,17H2,1-4H3
InChIKeyYCKVKLPWNCYFAW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds6

About 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide

3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide (PubChem CID 81087736) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
PubChem CID81087736
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-14(10-17)9-16(19)18(4)11-15-7-6-12(2)8-13(15)3/h6-8,14H,5,9-11,17H2,1-4H3
InChIKeyYCKVKLPWNCYFAW-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide (CID 81087736) is 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide is CCC(CN)CC(=O)N(C)Cc1ccc(C)cc1C.
What is the InChIKey of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The InChIKey is YCKVKLPWNCYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-14(10-17)9-16(19)18(4)11-15-7-6-12(2)8-13(15)3/h6-8,14H,5,9-11,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 81087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).