N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide

C12H22BrNO — CID 106828970

IUPACN-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCC(Br)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H22BrNO/c1-10(13)9-14(3)11(15)12(2)7-5-4-6-8-12/h10H,4-9H2,1-3H3
InChIKeyRHJQMXMBBFTHRU-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.20
Rot. Bonds3

About N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide

N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 106828970) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID106828970
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCC(Br)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H22BrNO/c1-10(13)9-14(3)11(15)12(2)7-5-4-6-8-12/h10H,4-9H2,1-3H3
InChIKeyRHJQMXMBBFTHRU-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
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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Related Compounds

N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80665189
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829127
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 80672586
N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 128925463
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(1-amino-2-methylpropan-2-yl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829154
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829061
1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 43295917
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
CID 107493421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide (CID 106828970) is N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide is CC(Br)CN(C)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is RHJQMXMBBFTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10(13)9-14(3)11(15)12(2)7-5-4-6-8-12/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide?
N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 276.22 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-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).