(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide

C14H28N2O2 — CID 62551339

IUPAC(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(18)16-14(9-17)7-5-6-10(2)8-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-,14?/m0/s1
InChIKeyVUUUJFOWOFMUKQ-ATJQQHLPSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds5

About (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide (PubChem CID 62551339) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
PubChem CID62551339
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(18)16-14(9-17)7-5-6-10(2)8-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-,14?/m0/s1
InChIKeyVUUUJFOWOFMUKQ-ATJQQHLPSA-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-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
CID 104873451
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
methyl 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbutanoate
CID 79396577

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide (CID 62551339) is (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide?
The InChIKey is VUUUJFOWOFMUKQ-ATJQQHLPSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-11(3)12(15)13(18)16-14(9-17)7-5-6-10(2)8-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-,14?/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-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 (2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide is sourced from PubChem (CID 62551339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).