cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine

C9H17N — CID 89155214

IUPACcis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
SMILESC=C[C@@H]1CCC[C@@](C)(N)C1
InChIInChI=1S/C9H17N/c1-3-8-5-4-6-9(2,10)7-8/h3,8H,1,4-7,10H2,2H3/t8-,9-/m1/s1
InChIKeyJSURWYQMQWGHJJ-RKDXNWHRSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds1

About cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine

cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine (PubChem CID 89155214) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
PubChem CID89155214
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namecis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
SMILESC=C[C@@H]1CCC[C@@](C)(N)C1
InChIInChI=1S/C9H17N/c1-3-8-5-4-6-9(2,10)7-8/h3,8H,1,4-7,10H2,2H3/t8-,9-/m1/s1
InChIKeyJSURWYQMQWGHJJ-RKDXNWHRSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
3-(aminomethyl)-1-methylcyclohexan-1-amine
CID 11804870
cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
CID 158423097
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
ethenylcyclononane
CID 123465789
ethenylcyclotetradecane
CID 123915888
1,4-dimethylcycloheptan-1-amine
CID 65080006
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine (CID 89155214) is cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine is C=C[C@@H]1CCC[C@@](C)(N)C1.
What is the InChIKey of cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine?
The InChIKey is JSURWYQMQWGHJJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8-5-4-6-9(2,10)7-8/h3,8H,1,4-7,10H2,2H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine?
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine is sourced from PubChem (CID 89155214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).