CID 135083375

C16H16KN+ — CID 135083375

IUPAC—
SMILESC=C[C](c1ccccc1)N(C)c1ccccc1.[K+]
InChIInChI=1S/C16H16N.K/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15;/h3-13H,1H2,2H3;/q;+1
InChIKeyARTNNQISOJWDBG-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.89
Rot. Bonds4

About CID 135083375

CID 135083375 (PubChem CID 135083375) has the molecular formula C16H16KN+ and a molecular weight of 261.41 g/mol.

Molecular Properties

Compound NameCID 135083375
PubChem CID135083375
Molecular FormulaC16H16KN+
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name—
SMILESC=C[C](c1ccccc1)N(C)c1ccccc1.[K+]
InChIInChI=1S/C16H16N.K/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15;/h3-13H,1H2,2H3;/q;+1
InChIKeyARTNNQISOJWDBG-UHFFFAOYSA-N
XLogP0.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 135083375?
The IUPAC name of CID 135083375 (CID 135083375) is not available.
What is the SMILES notation for CID 135083375?
The canonical SMILES for CID 135083375 is C=C[C](c1ccccc1)N(C)c1ccccc1.[K+].
What is the InChIKey of CID 135083375?
The InChIKey is ARTNNQISOJWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N.K/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15;/h3-13H,1H2,2H3;/q;+1.
What are the key properties of CID 135083375?
CID 135083375 has a molecular weight of 261.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135083375 is sourced from PubChem (CID 135083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).