4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine

C12H23N — CID 89099687

IUPAC4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(NC)CCC1CC
InChIInChI=1S/C12H23N/c1-4-6-11-9-12(13-3)8-7-10(11)5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyRRCZSPWLYSYRJK-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds4

About 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine

4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine (PubChem CID 89099687) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
PubChem CID89099687
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(NC)CCC1CC
InChIInChI=1S/C12H23N/c1-4-6-11-9-12(13-3)8-7-10(11)5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyRRCZSPWLYSYRJK-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
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 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine (CID 89099687) is 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine is C=CCC1CC(NC)CCC1CC.
What is the InChIKey of 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The InChIKey is RRCZSPWLYSYRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-6-11-9-12(13-3)8-7-10(11)5-2/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-3-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 89099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).