N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide

C16H30BrNO — CID 113276065

IUPACN-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CCCBr)CC1
InChIInChI=1S/C16H30BrNO/c1-3-4-7-14-8-10-15(11-9-14)16(19)18-13(2)6-5-12-17/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyKIFMJIJZFNCGQS-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.66
Rot. Bonds8

About N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide

N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide (PubChem CID 113276065) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
PubChem CID113276065
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CCCBr)CC1
InChIInChI=1S/C16H30BrNO/c1-3-4-7-14-8-10-15(11-9-14)16(19)18-13(2)6-5-12-17/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyKIFMJIJZFNCGQS-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-butylcyclohexane-1-carboxamide
CID 77038788
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide (CID 113276065) is N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC(C)CCCBr)CC1.
What is the InChIKey of N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is KIFMJIJZFNCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-3-4-7-14-8-10-15(11-9-14)16(19)18-13(2)6-5-12-17/h13-15H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide?
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 113276065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).