3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide

C11H22N2O2 — CID 64677641

IUPAC3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NC1CCCCC1O
InChIInChI=1S/C11H22N2O2/c1-11(2,12)7-10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyWKFVHMRGFYTZSM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide

3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide (PubChem CID 64677641) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
PubChem CID64677641
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NC1CCCCC1O
InChIInChI=1S/C11H22N2O2/c1-11(2,12)7-10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyWKFVHMRGFYTZSM-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214845
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide (CID 64677641) is 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide is CC(C)(N)CC(=O)NC1CCCCC1O.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide?
The InChIKey is WKFVHMRGFYTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,12)7-10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide?
3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 64677641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).