1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane

C12H21I — CID 137413078

IUPAC1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane
SMILESCC1(CC2(CI)CCCCC2)CC1
InChIInChI=1S/C12H21I/c1-11(7-8-11)9-12(10-13)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyYFXCNWFHNSGZIR-UHFFFAOYSA-N
MW292.20 g/mol
LogP4.56
Rot. Bonds3

About 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane

1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane (PubChem CID 137413078) has the molecular formula C12H21I and a molecular weight of 292.20 g/mol. Its IUPAC name is 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane
PubChem CID137413078
Molecular FormulaC12H21I
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane
SMILESCC1(CC2(CI)CCCCC2)CC1
InChIInChI=1S/C12H21I/c1-11(7-8-11)9-12(10-13)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyYFXCNWFHNSGZIR-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane?
The IUPAC name of 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane (CID 137413078) is 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane.
What is the SMILES notation for 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane?
The canonical SMILES for 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane is CC1(CC2(CI)CCCCC2)CC1.
What is the InChIKey of 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane?
The InChIKey is YFXCNWFHNSGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21I/c1-11(7-8-11)9-12(10-13)5-3-2-4-6-12/h2-10H2,1H3.
What are the key properties of 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane?
1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane has a molecular weight of 292.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane is sourced from PubChem (CID 137413078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).