1-(4-ethylcyclohexen-1-yl)propan-2-amine

C11H21N — CID 67556058

IUPAC1-(4-ethylcyclohexen-1-yl)propan-2-amine
SMILESCCC1CC=C(CC(C)N)CC1
InChIInChI=1S/C11H21N/c1-3-10-4-6-11(7-5-10)8-9(2)12/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyQJWWCMANTLCYCS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-ethylcyclohexen-1-yl)propan-2-amine

1-(4-ethylcyclohexen-1-yl)propan-2-amine (PubChem CID 67556058) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(4-ethylcyclohexen-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexen-1-yl)propan-2-amine
PubChem CID67556058
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(4-ethylcyclohexen-1-yl)propan-2-amine
SMILESCCC1CC=C(CC(C)N)CC1
InChIInChI=1S/C11H21N/c1-3-10-4-6-11(7-5-10)8-9(2)12/h6,9-10H,3-5,7-8,12H2,1-2H3
InChIKeyQJWWCMANTLCYCS-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
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 1-(4-ethylcyclohexen-1-yl)propan-2-amine?
The IUPAC name of 1-(4-ethylcyclohexen-1-yl)propan-2-amine (CID 67556058) is 1-(4-ethylcyclohexen-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-ethylcyclohexen-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-ethylcyclohexen-1-yl)propan-2-amine is CCC1CC=C(CC(C)N)CC1.
What is the InChIKey of 1-(4-ethylcyclohexen-1-yl)propan-2-amine?
The InChIKey is QJWWCMANTLCYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10-4-6-11(7-5-10)8-9(2)12/h6,9-10H,3-5,7-8,12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexen-1-yl)propan-2-amine?
1-(4-ethylcyclohexen-1-yl)propan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexen-1-yl)propan-2-amine is sourced from PubChem (CID 67556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).