trans-(1R,3R)-3-ethenylcyclohexan-1-amine

C8H15N — CID 130990732

IUPACtrans-(1R,3R)-3-ethenylcyclohexan-1-amine
SMILESC=C[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1
InChIKeyYUFHIVZCQWFSIJ-HTQZYQBOSA-N
MW125.22 g/mol
LogP1.69
Rot. Bonds1

About trans-(1R,3R)-3-ethenylcyclohexan-1-amine

trans-(1R,3R)-3-ethenylcyclohexan-1-amine (PubChem CID 130990732) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is trans-(1R,3R)-3-ethenylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-ethenylcyclohexan-1-amine
PubChem CID130990732
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Nametrans-(1R,3R)-3-ethenylcyclohexan-1-amine
SMILESC=C[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1
InChIKeyYUFHIVZCQWFSIJ-HTQZYQBOSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.69
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 trans-(1R,3R)-3-ethenylcyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-ethenylcyclohexan-1-amine (CID 130990732) is trans-(1R,3R)-3-ethenylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-ethenylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-ethenylcyclohexan-1-amine is C=C[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-ethenylcyclohexan-1-amine?
The InChIKey is YUFHIVZCQWFSIJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-3-ethenylcyclohexan-1-amine?
trans-(1R,3R)-3-ethenylcyclohexan-1-amine has a molecular weight of 125.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-ethenylcyclohexan-1-amine is sourced from PubChem (CID 130990732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).