N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide

C13H22BrNO — CID 80672586

IUPACN-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(CC1CC(Br)C1)C(=O)C1(C)CCCC1
InChIInChI=1S/C13H22BrNO/c1-13(5-3-4-6-13)12(16)15(2)9-10-7-11(14)8-10/h10-11H,3-9H2,1-2H3
InChIKeyLKUSUARCZNVWNA-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.20
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide

N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide (PubChem CID 80672586) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
PubChem CID80672586
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(CC1CC(Br)C1)C(=O)C1(C)CCCC1
InChIInChI=1S/C13H22BrNO/c1-13(5-3-4-6-13)12(16)15(2)9-10-7-11(14)8-10/h10-11H,3-9H2,1-2H3
InChIKeyLKUSUARCZNVWNA-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.20
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 N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide (CID 80672586) is N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide is CN(CC1CC(Br)C1)C(=O)C1(C)CCCC1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
The InChIKey is LKUSUARCZNVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-13(5-3-4-6-13)12(16)15(2)9-10-7-11(14)8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide?
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 80672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).