2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine

C12H22N2 — CID 67935261

IUPAC2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine
SMILESNC(CC1=CCCCC1)C1CCCN1
InChIInChI=1S/C12H22N2/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,11-12,14H,1-4,6-9,13H2
InChIKeyPGKVVBVPCWYCAM-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.96
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine

2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine (PubChem CID 67935261) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine
PubChem CID67935261
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine
SMILESNC(CC1=CCCCC1)C1CCCN1
InChIInChI=1S/C12H22N2/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,11-12,14H,1-4,6-9,13H2
InChIKeyPGKVVBVPCWYCAM-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine (CID 67935261) is 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine is NC(CC1=CCCCC1)C1CCCN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine?
The InChIKey is PGKVVBVPCWYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,11-12,14H,1-4,6-9,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine?
2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine has a molecular weight of 194.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 67935261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).