2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide

C16H32N2O2 — CID 107472051

IUPAC2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
SMILESCC1CCC(CO)(NC(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12-5-7-16(11-19,8-6-12)18-14(20)13(10-17)9-15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyPJPTYUXILPZVGP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.05
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide (PubChem CID 107472051) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
PubChem CID107472051
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
SMILESCC1CCC(CO)(NC(=O)C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12-5-7-16(11-19,8-6-12)18-14(20)13(10-17)9-15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyPJPTYUXILPZVGP-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpropanamide
CID 62726873
1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 107472477
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide (CID 107472051) is 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide is CC1CCC(CO)(NC(=O)C(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide?
The InChIKey is PJPTYUXILPZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-5-7-16(11-19,8-6-12)18-14(20)13(10-17)9-15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide has a molecular weight of 284.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).