2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide

C15H24N2O2 — CID 103810421

IUPAC2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)6-14(8-16)15(19)17-9-12-4-3-5-13(7-12)10-18/h3-5,7,11,14,18H,6,8-10,16H2,1-2H3,(H,17,19)
InChIKeyGPGKZSMZKSJXIC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds7

About 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide

2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide (PubChem CID 103810421) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
PubChem CID103810421
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)6-14(8-16)15(19)17-9-12-4-3-5-13(7-12)10-18/h3-5,7,11,14,18H,6,8-10,16H2,1-2H3,(H,17,19)
InChIKeyGPGKZSMZKSJXIC-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
3-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]benzoic acid
CID 107471779
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
4-amino-5-[[3-(hydroxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 107218367

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide (CID 103810421) is 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide is CC(C)CC(CN)C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The InChIKey is GPGKZSMZKSJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)6-14(8-16)15(19)17-9-12-4-3-5-13(7-12)10-18/h3-5,7,11,14,18H,6,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 103810421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).