N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide

C15H28BrNO — CID 114312510

IUPACN-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCC(C)Br)CC1
InChIInChI=1S/C15H28BrNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-11-10-12(2)16/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyZBGKZSGEDHLTBL-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.27
Rot. Bonds7

About N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide

N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide (PubChem CID 114312510) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
PubChem CID114312510
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCC(C)Br)CC1
InChIInChI=1S/C15H28BrNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-11-10-12(2)16/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyZBGKZSGEDHLTBL-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.27
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-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
CID 90523741
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide (CID 114312510) is N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCC(C)Br)CC1.
What is the InChIKey of N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is ZBGKZSGEDHLTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-3-4-5-13-6-8-14(9-7-13)15(18)17-11-10-12(2)16/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide?
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 114312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).