2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide

C11H20BrNO — CID 63630718

IUPAC2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C11H20BrNO/c1-3-10(12)11(14)13(2)8-9-6-4-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyLATTVWMZIZUKFQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.81
Rot. Bonds4

About 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide

2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide (PubChem CID 63630718) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide
PubChem CID63630718
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C11H20BrNO/c1-3-10(12)11(14)13(2)8-9-6-4-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyLATTVWMZIZUKFQ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide?
The IUPAC name of 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide (CID 63630718) is 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide?
The canonical SMILES for 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide is CCC(Br)C(=O)N(C)CC1CCCC1.
What is the InChIKey of 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide?
The InChIKey is LATTVWMZIZUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-3-10(12)11(14)13(2)8-9-6-4-5-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide?
2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopentylmethyl)-N-methylbutanamide is sourced from PubChem (CID 63630718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).