4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide

C11H22N2O2 — CID 107222022

IUPAC4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-8(6-7-12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyZBVGROKEPHCCLB-VXRWAFEHSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide

4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide (PubChem CID 107222022) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
PubChem CID107222022
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-8(6-7-12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1
InChIKeyZBVGROKEPHCCLB-VXRWAFEHSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide (CID 107222022) is 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide is CC(CCN)C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide?
The InChIKey is ZBVGROKEPHCCLB-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(6-7-12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10-/m1/s1.
What are the key properties of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide?
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide is sourced from PubChem (CID 107222022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).