4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide

C17H32INO — CID 107848338

IUPAC4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCCCCCI)CC1
InChIInChI=1S/C17H32INO/c1-2-3-8-15-9-11-16(12-10-15)17(20)19-14-7-5-4-6-13-18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyWFABQBOZXSLXND-UHFFFAOYSA-N
MW393.35 g/mol
LogP5.09
Rot. Bonds10

About 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide

4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide (PubChem CID 107848338) has the molecular formula C17H32INO and a molecular weight of 393.35 g/mol. Its IUPAC name is 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
PubChem CID107848338
Molecular FormulaC17H32INO
Molecular Weight393.35 g/mol
Exact Mass393.15
IUPAC Name4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCCCCCI)CC1
InChIInChI=1S/C17H32INO/c1-2-3-8-15-9-11-16(12-10-15)17(20)19-14-7-5-4-6-13-18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyWFABQBOZXSLXND-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
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
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide (CID 107848338) is 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCCCCCI)CC1.
What is the InChIKey of 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide?
The InChIKey is WFABQBOZXSLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32INO/c1-2-3-8-15-9-11-16(12-10-15)17(20)19-14-7-5-4-6-13-18/h15-16H,2-14H2,1H3,(H,19,20).
What are the key properties of 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide?
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide has a molecular weight of 393.35 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107848338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).