(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine

C9H15N — CID 165085079

IUPAC(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine
SMILESCCC1=CCC2C(CN)C12
InChIInChI=1S/C9H15N/c1-2-6-3-4-7-8(5-10)9(6)7/h3,7-9H,2,4-5,10H2,1H3
InChIKeyVTOJJAPVBBCELN-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.55
Rot. Bonds2

About (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine

(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine (PubChem CID 165085079) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine
PubChem CID165085079
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine
SMILESCCC1=CCC2C(CN)C12
InChIInChI=1S/C9H15N/c1-2-6-3-4-7-8(5-10)9(6)7/h3,7-9H,2,4-5,10H2,1H3
InChIKeyVTOJJAPVBBCELN-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.55
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 (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine?
The IUPAC name of (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine (CID 165085079) is (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine.
What is the SMILES notation for (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine?
The canonical SMILES for (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine is CCC1=CCC2C(CN)C12.
What is the InChIKey of (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine?
The InChIKey is VTOJJAPVBBCELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-6-3-4-7-8(5-10)9(6)7/h3,7-9H,2,4-5,10H2,1H3.
What are the key properties of (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine?
(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine has a molecular weight of 137.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine is sourced from PubChem (CID 165085079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).