N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

C14H26INO — CID 107859802

IUPACN-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(CI)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26INO/c1-10(2)12(9-15)16-13(17)11-7-5-6-8-14(11,3)4/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyIPVIOYDMFDWAIF-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.78
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107859802) has the molecular formula C14H26INO and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107859802
Molecular FormulaC14H26INO
Molecular Weight351.27 g/mol
Exact Mass351.11
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(CI)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26INO/c1-10(2)12(9-15)16-13(17)11-7-5-6-8-14(11,3)4/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyIPVIOYDMFDWAIF-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.78
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-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184210
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107859802) is N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)C(CI)NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is IPVIOYDMFDWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26INO/c1-10(2)12(9-15)16-13(17)11-7-5-6-8-14(11,3)4/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 3.78, 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)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107859802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).