2-bromo-N-cyclopentyl-N,3-dimethylbutanamide

C11H20BrNO — CID 43267096

IUPAC2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)C1CCCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13(3)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3
InChIKeyKZYNDINFCPXFOZ-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide

2-bromo-N-cyclopentyl-N,3-dimethylbutanamide (PubChem CID 43267096) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
PubChem CID43267096
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)C1CCCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13(3)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3
InChIKeyKZYNDINFCPXFOZ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide
CID 60949131
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107020891
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
4-amino-N-cyclopentyl-N,2-dimethylbutanamide
CID 80542011
N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107022355
4-amino-N-cyclohexyl-N,2-dimethylbutanamide
CID 80542163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide (CID 43267096) is 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide is CC(C)C(Br)C(=O)N(C)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide?
The InChIKey is KZYNDINFCPXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13(3)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide?
2-bromo-N-cyclopentyl-N,3-dimethylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N,3-dimethylbutanamide is sourced from PubChem (CID 43267096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).