2-iodo-4-methylcyclohexan-1-amine

C7H14IN — CID 163524307

IUPAC2-iodo-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(I)C1
InChIInChI=1S/C7H14IN/c1-5-2-3-7(9)6(8)4-5/h5-7H,2-4,9H2,1H3
InChIKeyDNKOICYOSXXXGE-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.94
Rot. Bonds

About 2-iodo-4-methylcyclohexan-1-amine

2-iodo-4-methylcyclohexan-1-amine (PubChem CID 163524307) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is 2-iodo-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-iodo-4-methylcyclohexan-1-amine
PubChem CID163524307
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name2-iodo-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(I)C1
InChIInChI=1S/C7H14IN/c1-5-2-3-7(9)6(8)4-5/h5-7H,2-4,9H2,1H3
InChIKeyDNKOICYOSXXXGE-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.94
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

cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
2,4-dimethylcyclohexan-1-amine
CID 14675373
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(1R)-3-methylcyclopentan-1-amine
CID 58346799
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
4-methylcyclohexane-1,2-diamine;sulfuric acid
CID 11528700
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
CID 174795917
4-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 55134788

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methylcyclohexan-1-amine?
The IUPAC name of 2-iodo-4-methylcyclohexan-1-amine (CID 163524307) is 2-iodo-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-iodo-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-iodo-4-methylcyclohexan-1-amine is CC1CCC(N)C(I)C1.
What is the InChIKey of 2-iodo-4-methylcyclohexan-1-amine?
The InChIKey is DNKOICYOSXXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-5-2-3-7(9)6(8)4-5/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-iodo-4-methylcyclohexan-1-amine?
2-iodo-4-methylcyclohexan-1-amine has a molecular weight of 239.10 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methylcyclohexan-1-amine is sourced from PubChem (CID 163524307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).