cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine

C7H14IN — CID 88940989

IUPACcis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1NI
InChIInChI=1S/C7H14IN/c1-6-4-2-3-5-7(6)9-8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyTWEWWSMXWVCVDR-RQJHMYQMSA-N
MW239.10 g/mol
LogP2.50
Rot. Bonds1

About cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine

cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine (PubChem CID 88940989) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
PubChem CID88940989
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Namecis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1NI
InChIInChI=1S/C7H14IN/c1-6-4-2-3-5-7(6)9-8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyTWEWWSMXWVCVDR-RQJHMYQMSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
(2-methylcyclopentyl)hydrazine
CID 19432786
N,2-dimethylcyclopentan-1-amine;ethane
CID 144598118
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
2-methyl-N-(3-methylcyclobutyl)cycloheptan-1-amine
CID 104859847
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine (CID 88940989) is cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine is C[C@@H]1CCCC[C@@H]1NI.
What is the InChIKey of cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine?
The InChIKey is TWEWWSMXWVCVDR-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14IN/c1-6-4-2-3-5-7(6)9-8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine?
cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine has a molecular weight of 239.10 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine is sourced from PubChem (CID 88940989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).