N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

C13H24BrNO — CID 106441463

IUPACN-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCN(CCCBr)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H24BrNO/c1-13(2)8-5-4-7-11(13)12(16)15(3)10-6-9-14/h11H,4-10H2,1-3H3
InChIKeyFYLAJGIRUUKTAM-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.45
Rot. Bonds4

About N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (PubChem CID 106441463) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
PubChem CID106441463
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCN(CCCBr)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H24BrNO/c1-13(2)8-5-4-7-11(13)12(16)15(3)10-6-9-14/h11H,4-10H2,1-3H3
InChIKeyFYLAJGIRUUKTAM-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.45
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,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107206109
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107183930
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (CID 106441463) is N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is CN(CCCBr)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The InChIKey is FYLAJGIRUUKTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-13(2)8-5-4-7-11(13)12(16)15(3)10-6-9-14/h11H,4-10H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106441463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).