CID 10695304

C15H19N+ — CID 10695304

IUPAC—
SMILESC=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2
InChIInChI=1S/C15H19N/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13/h3-6,11,14H,1,7-10H2,2H3/q+1/b15-11-
InChIKeyJIOCAVSVVCDLTQ-PTNGSMBKSA-N
MW213.32 g/mol
LogP2.70
Rot. Bonds1

About CID 10695304

CID 10695304 (PubChem CID 10695304) has the molecular formula C15H19N+ and a molecular weight of 213.32 g/mol.

Molecular Properties

Compound NameCID 10695304
PubChem CID10695304
Molecular FormulaC15H19N+
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name—
SMILESC=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2
InChIInChI=1S/C15H19N/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13/h3-6,11,14H,1,7-10H2,2H3/q+1/b15-11-
InChIKeyJIOCAVSVVCDLTQ-PTNGSMBKSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10695304?
The IUPAC name of CID 10695304 (CID 10695304) is not available.
What is the SMILES notation for CID 10695304?
The canonical SMILES for CID 10695304 is C=C1/C(=C/[C]2[CH][CH][CH][CH]2)[N+]2(C)CCC1CC2.
What is the InChIKey of CID 10695304?
The InChIKey is JIOCAVSVVCDLTQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H19N/c1-12-14-7-9-16(2,10-8-14)15(12)11-13-5-3-4-6-13/h3-6,11,14H,1,7-10H2,2H3/q+1/b15-11-.
What are the key properties of CID 10695304?
CID 10695304 has a molecular weight of 213.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10695304 is sourced from PubChem (CID 10695304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).