2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide

C16H32N2O2 — CID 107472285

IUPAC2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
SMILESCC1CCCC(O)(CNC(=O)C(CN)CC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12-6-5-7-16(20,8-12)11-18-14(19)13(10-17)9-15(2,3)4/h12-13,20H,5-11,17H2,1-4H3,(H,18,19)
InChIKeyJYXNPCBKMFEVHW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.05
Rot. Bonds5

About 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide (PubChem CID 107472285) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
PubChem CID107472285
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
SMILESCC1CCCC(O)(CNC(=O)C(CN)CC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12-6-5-7-16(20,8-12)11-18-14(19)13(10-17)9-15(2,3)4/h12-13,20H,5-11,17H2,1-4H3,(H,18,19)
InChIKeyJYXNPCBKMFEVHW-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

(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide (CID 107472285) is 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide is CC1CCCC(O)(CNC(=O)C(CN)CC(C)(C)C)C1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide?
The InChIKey is JYXNPCBKMFEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-6-5-7-16(20,8-12)11-18-14(19)13(10-17)9-15(2,3)4/h12-13,20H,5-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-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-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).