trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine

C9H17N — CID 12910256

IUPACtrans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
SMILESC=CC[C@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1
InChIKeyFHBMYNJEZCLYTL-DTWKUNHWSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds2

About trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine

trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine (PubChem CID 12910256) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
PubChem CID12910256
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nametrans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
SMILESC=CC[C@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1
InChIKeyFHBMYNJEZCLYTL-DTWKUNHWSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine (CID 12910256) is trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine is C=CC[C@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine?
The InChIKey is FHBMYNJEZCLYTL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine?
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 12910256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).