5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine

C19H35N2+ — CID 2307864

IUPAC5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine
SMILESCCCN(CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1
InChIKeyPOGUETQKMGLOPZ-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.45
Rot. Bonds5

About 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine

5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine (PubChem CID 2307864) has the molecular formula C19H35N2+ and a molecular weight of 291.50 g/mol. Its IUPAC name is 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine
PubChem CID2307864
Molecular FormulaC19H35N2+
Molecular Weight291.50 g/mol
Exact Mass291.28
IUPAC Name5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine
SMILESCCCN(CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1
InChIKeyPOGUETQKMGLOPZ-UHFFFAOYSA-N
XLogP4.45
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine?
The IUPAC name of 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine (CID 2307864) is 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine?
The canonical SMILES for 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine is CCCN(CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine?
The InChIKey is POGUETQKMGLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1.
What are the key properties of 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine?
5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N,N-dipropylcyclohexen-1-amine is sourced from PubChem (CID 2307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).