CID 123604603

C14H30BN+ — CID 123604603

IUPAC—
SMILESC[B]CC[N+]1(C)CCCCCC1CCCC
InChIInChI=1S/C14H30BN/c1-4-5-9-14-10-7-6-8-12-16(14,3)13-11-15-2/h14H,4-13H2,1-3H3/q+1
InChIKeyWKKVMAVLSCMBFF-UHFFFAOYSA-N
MW223.21 g/mol
LogP3.74
Rot. Bonds6

About CID 123604603

CID 123604603 (PubChem CID 123604603) has the molecular formula C14H30BN+ and a molecular weight of 223.21 g/mol.

Molecular Properties

Compound NameCID 123604603
PubChem CID123604603
Molecular FormulaC14H30BN+
Molecular Weight223.21 g/mol
Exact Mass223.25
IUPAC Name—
SMILESC[B]CC[N+]1(C)CCCCCC1CCCC
InChIInChI=1S/C14H30BN/c1-4-5-9-14-10-7-6-8-12-16(14,3)13-11-15-2/h14H,4-13H2,1-3H3/q+1
InChIKeyWKKVMAVLSCMBFF-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 123604603 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

2-butyl-1-methyl-1-propylpyrrolidin-1-ium
CID 178182566
1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103
1,1-dibutyl-2-ethylpiperidin-1-ium
CID 22415969
CID 174098001
CID 174098001
1,2-dimethyl-1-propylpiperidin-1-ium bromide
CID 66624879
1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
CID 21119340
(4aR,8aR)-1,1,4,4-tetrabutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium dichloride
CID 131883004
1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 161031580

Frequently Asked Questions

What is the IUPAC name of CID 123604603?
The IUPAC name of CID 123604603 (CID 123604603) is not available.
What is the SMILES notation for CID 123604603?
The canonical SMILES for CID 123604603 is C[B]CC[N+]1(C)CCCCCC1CCCC.
What is the InChIKey of CID 123604603?
The InChIKey is WKKVMAVLSCMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BN/c1-4-5-9-14-10-7-6-8-12-16(14,3)13-11-15-2/h14H,4-13H2,1-3H3/q+1.
What are the key properties of CID 123604603?
CID 123604603 has a molecular weight of 223.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123604603 is sourced from PubChem (CID 123604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).