N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide

C13H25NO2 — CID 62527367

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(16)14-13(9-15)6-4-5-11(3)8-13/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyVOHHUWZOLKTWGV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide (PubChem CID 62527367) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
PubChem CID62527367
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)7-12(16)14-13(9-15)6-4-5-11(3)8-13/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyVOHHUWZOLKTWGV-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527897
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
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide (CID 62527367) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide is CC(C)CC(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide?
The InChIKey is VOHHUWZOLKTWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)7-12(16)14-13(9-15)6-4-5-11(3)8-13/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 4 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-methylbutanamide is sourced from PubChem (CID 62527367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).