5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine

C18H33N2+ — CID 2315545

IUPAC5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
SMILESCCCN(CCC)C1=CC(=[N+]2CCCC2)CC(C)(C)C1
InChIInChI=1S/C18H33N2/c1-5-9-19(10-6-2)16-13-17(15-18(3,4)14-16)20-11-7-8-12-20/h13H,5-12,14-15H2,1-4H3/q+1
InChIKeyQLEYAENRHBCCLS-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.06
Rot. Bonds5

About 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine

5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine (PubChem CID 2315545) has the molecular formula C18H33N2+ and a molecular weight of 277.48 g/mol. Its IUPAC name is 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
PubChem CID2315545
Molecular FormulaC18H33N2+
Molecular Weight277.48 g/mol
Exact Mass277.26
IUPAC Name5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
SMILESCCCN(CCC)C1=CC(=[N+]2CCCC2)CC(C)(C)C1
InChIInChI=1S/C18H33N2/c1-5-9-19(10-6-2)16-13-17(15-18(3,4)14-16)20-11-7-8-12-20/h13H,5-12,14-15H2,1-4H3/q+1
InChIKeyQLEYAENRHBCCLS-UHFFFAOYSA-N
XLogP4.06
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine?
The IUPAC name of 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine (CID 2315545) is 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine.
What is the SMILES notation for 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine?
The canonical SMILES for 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine is CCCN(CCC)C1=CC(=[N+]2CCCC2)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine?
The InChIKey is QLEYAENRHBCCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N2/c1-5-9-19(10-6-2)16-13-17(15-18(3,4)14-16)20-11-7-8-12-20/h13H,5-12,14-15H2,1-4H3/q+1.
What are the key properties of 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine?
5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine is sourced from PubChem (CID 2315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).