2-ethyl-N-prop-2-enylcyclohexan-1-amine

C11H21N — CID 62142413

IUPAC2-ethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCCC1CC
InChIInChI=1S/C11H21N/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3,10-12H,1,4-9H2,2H3
InChIKeySXEICYNDLXMMKP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds4

About 2-ethyl-N-prop-2-enylcyclohexan-1-amine

2-ethyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 62142413) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID62142413
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCCCC1CC
InChIInChI=1S/C11H21N/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3,10-12H,1,4-9H2,2H3
InChIKeySXEICYNDLXMMKP-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
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-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-prop-2-enylcyclohexan-1-amine (CID 62142413) is 2-ethyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCCCC1CC.
What is the InChIKey of 2-ethyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is SXEICYNDLXMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 2-ethyl-N-prop-2-enylcyclohexan-1-amine?
2-ethyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 62142413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).