N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide

C14H27NO2 — CID 62527893

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CO)(NC(=O)CC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-14(8-11,10-16)15-12(17)9-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyYEAOOXXQNPBBIW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide (PubChem CID 62527893) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
PubChem CID62527893
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CO)(NC(=O)CC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-14(8-11,10-16)15-12(17)9-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyYEAOOXXQNPBBIW-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide (CID 62527893) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide is CC1CCCC(CO)(NC(=O)CC(C)(C)C)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The InChIKey is YEAOOXXQNPBBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-6-5-7-14(8-11,10-16)15-12(17)9-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 62527893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).