2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide

C14H28N2O2 — CID 107472961

IUPAC2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H28N2O2/c1-14(2,3)8-10(9-15)13(18)16-11-6-4-5-7-12(11)17/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-/m0/s1
InChIKeyKEMMHEURPCNYEJ-RAMGSTBQSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds4

About 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide (PubChem CID 107472961) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
PubChem CID107472961
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H28N2O2/c1-14(2,3)8-10(9-15)13(18)16-11-6-4-5-7-12(11)17/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-/m0/s1
InChIKeyKEMMHEURPCNYEJ-RAMGSTBQSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
N-(2-hydroxycyclopentyl)-2-(hydroxymethyl)butanamide
CID 70915127
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide (CID 107472961) is 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide?
The InChIKey is KEMMHEURPCNYEJ-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)8-10(9-15)13(18)16-11-6-4-5-7-12(11)17/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)/t10?,11-,12-/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).