2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide

C14H28N2O2 — CID 65119904

IUPAC2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(17)16-9-14(18)7-5-6-10(2)8-14/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyCMLLDLIJSXWSAJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide

2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide (PubChem CID 65119904) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
PubChem CID65119904
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(17)16-9-14(18)7-5-6-10(2)8-14/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyCMLLDLIJSXWSAJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
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
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide (CID 65119904) is 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide?
The InChIKey is CMLLDLIJSXWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(17)16-9-14(18)7-5-6-10(2)8-14/h10-12,18H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide?
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 65119904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).