CID 58696102

C9H16N+ — CID 58696102

IUPAC—
SMILES[CH][N+]1(CC=C)CCCCC1
InChIInChI=1S/C9H16N/c1-3-7-10(2)8-5-4-6-9-10/h2-3H,1,4-9H2/q+1
InChIKeyAJSUIQKHSLQNKZ-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.84
Rot. Bonds2

About CID 58696102

CID 58696102 (PubChem CID 58696102) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol.

Molecular Properties

Compound NameCID 58696102
PubChem CID58696102
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name—
SMILES[CH][N+]1(CC=C)CCCCC1
InChIInChI=1S/C9H16N/c1-3-7-10(2)8-5-4-6-9-10/h2-3H,1,4-9H2/q+1
InChIKeyAJSUIQKHSLQNKZ-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 58696102 with MolForge

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

Launch Full Analysis

Related Compounds

1-(Prop-2-en-1-yl)piperidine
CID 139756
Hexylamine, N,N-di(allyl)-
CID 21243726
1-Piperidyl-2-butene
CID 79100
1-[(2E)-4-(Piperidin-1-YL)but-2-EN-1-YL]piperidine
CID 1614692
1-(4-Piperidin-1-ylbut-2-enyl)piperidine
CID 409235
4-Piperidinylbut-1-ene
CID 4562282
1-(2-Methylprop-2-enyl)piperidine
CID 11137238
1-Oxido-1-prop-2-enylpiperidin-1-ium
CID 11171027
N-(3-methyl-2-butenyl)piperidine
CID 12231582
1-(Buta-2,3-dien-1-yl)piperidine
CID 12455427
N,N-diallylpiperidinium bromide
CID 13153002
N-allyl-2-methylpiperidine
CID 13264660

Frequently Asked Questions

What is the IUPAC name of CID 58696102?
The IUPAC name of CID 58696102 (CID 58696102) is not available.
What is the SMILES notation for CID 58696102?
The canonical SMILES for CID 58696102 is [CH][N+]1(CC=C)CCCCC1.
What is the InChIKey of CID 58696102?
The InChIKey is AJSUIQKHSLQNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-3-7-10(2)8-5-4-6-9-10/h2-3H,1,4-9H2/q+1.
What are the key properties of CID 58696102?
CID 58696102 has a molecular weight of 138.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58696102 is sourced from PubChem (CID 58696102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).