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

C12H22BrNO2 — CID 62551131

IUPAC2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)10(13)11(16)14-12(8-15)6-4-3-5-7-12/h9-10,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUTPFVGYDIBXMJW-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.22
Rot. Bonds4

About 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide

2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (PubChem CID 62551131) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
PubChem CID62551131
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)10(13)11(16)14-12(8-15)6-4-3-5-7-12/h9-10,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUTPFVGYDIBXMJW-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 62552043
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (CID 62551131) is 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is CC(C)C(Br)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The InChIKey is UTPFVGYDIBXMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-9(2)10(13)11(16)14-12(8-15)6-4-3-5-7-12/h9-10,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide has a molecular weight of 292.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is sourced from PubChem (CID 62551131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).