3-ethylcyclohex-2-en-1-amine

C8H15N — CID 55285106

IUPAC3-ethylcyclohex-2-en-1-amine
SMILESCCC1=CC(N)CCC1
InChIInChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h6,8H,2-5,9H2,1H3
InChIKeySBZMSNJPHXSORR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.83
Rot. Bonds1

About 3-ethylcyclohex-2-en-1-amine

3-ethylcyclohex-2-en-1-amine (PubChem CID 55285106) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-ethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-ethylcyclohex-2-en-1-amine
PubChem CID55285106
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-ethylcyclohex-2-en-1-amine
SMILESCCC1=CC(N)CCC1
InChIInChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h6,8H,2-5,9H2,1H3
InChIKeySBZMSNJPHXSORR-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.83
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 3-ethylcyclohex-2-en-1-amine?
The IUPAC name of 3-ethylcyclohex-2-en-1-amine (CID 55285106) is 3-ethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-ethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-ethylcyclohex-2-en-1-amine is CCC1=CC(N)CCC1.
What is the InChIKey of 3-ethylcyclohex-2-en-1-amine?
The InChIKey is SBZMSNJPHXSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-7-4-3-5-8(9)6-7/h6,8H,2-5,9H2,1H3.
What are the key properties of 3-ethylcyclohex-2-en-1-amine?
3-ethylcyclohex-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclohex-2-en-1-amine is sourced from PubChem (CID 55285106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).