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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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).