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

C12H23NO2 — CID 62521632

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-11(15)13-12(9-14)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyATHDSUHEPFOMAL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (PubChem CID 62521632) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
PubChem CID62521632
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-11(15)13-12(9-14)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyATHDSUHEPFOMAL-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (CID 62521632) is N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is CC(C)CC(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The InChIKey is ATHDSUHEPFOMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-11(15)13-12(9-14)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is sourced from PubChem (CID 62521632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).