N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide

C13H24INO — CID 107860044

IUPACN-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CI)C(C)C)CC1
InChIInChI=1S/C13H24INO/c1-9(2)12(8-14)15-13(16)11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMBAPFKPFLWHAW-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.39
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide

N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 107860044) has the molecular formula C13H24INO and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID107860044
Molecular FormulaC13H24INO
Molecular Weight337.25 g/mol
Exact Mass337.09
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CI)C(C)C)CC1
InChIInChI=1S/C13H24INO/c1-9(2)12(8-14)15-13(16)11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMBAPFKPFLWHAW-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexanecarbonylpentadecylamine
CID 44398718
N,3-dicyclohexylpropanamide
CID 759108
N,2-dicyclohexylacetamide
CID 880907
N-butylcyclohexanecarboxamide
CID 3544722
N-cyclohexyl-3-cyclopentylpropanamide
CID 835664
N-cyclohexylcyclohexanecarboxamide
CID 344739
2-cyclohexyl-N-dodecylacetamide
CID 22978779
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-dodecylcyclohexanecarboxamide
CID 3730607
2-cyclohexyl-N-cyclopentylacetamide
CID 2285482
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide (CID 107860044) is N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(CI)C(C)C)CC1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is QMBAPFKPFLWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24INO/c1-9(2)12(8-14)15-13(16)11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 337.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107860044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).