CID 163127733

C35H60N2 — CID 163127733

IUPAC—
SMILESC1=CC2[CH-][N+](=C1)CCCCCCCCCCCC1=CN(CC=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C35H60N2/c1-2-4-8-12-16-20-28-36-30-23-27-35(33-36)25-19-15-11-7-5-9-13-17-21-29-37-31-22-26-34(32-37)24-18-14-10-6-3-1/h22-23,26-27,31-34H,1-21,24-25,28-30H2
InChIKeyJUAZCXPYZKEWOD-UHFFFAOYSA-N
MW508.88 g/mol
LogP10.16
Rot. Bonds

About CID 163127733

CID 163127733 (PubChem CID 163127733) has the molecular formula C35H60N2 and a molecular weight of 508.88 g/mol.

Molecular Properties

Compound NameCID 163127733
PubChem CID163127733
Molecular FormulaC35H60N2
Molecular Weight508.88 g/mol
Exact Mass508.48
IUPAC Name—
SMILESC1=CC2[CH-][N+](=C1)CCCCCCCCCCCC1=CN(CC=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C35H60N2/c1-2-4-8-12-16-20-28-36-30-23-27-35(33-36)25-19-15-11-7-5-9-13-17-21-29-37-31-22-26-34(32-37)24-18-14-10-6-3-1/h22-23,26-27,31-34H,1-21,24-25,28-30H2
InChIKeyJUAZCXPYZKEWOD-UHFFFAOYSA-N
XLogP10.16
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163127733?
The IUPAC name of CID 163127733 (CID 163127733) is not available.
What is the SMILES notation for CID 163127733?
The canonical SMILES for CID 163127733 is C1=CC2[CH-][N+](=C1)CCCCCCCCCCCC1=CN(CC=C1)CCCCCCCCCCCCCC2.
What is the InChIKey of CID 163127733?
The InChIKey is JUAZCXPYZKEWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60N2/c1-2-4-8-12-16-20-28-36-30-23-27-35(33-36)25-19-15-11-7-5-9-13-17-21-29-37-31-22-26-34(32-37)24-18-14-10-6-3-1/h22-23,26-27,31-34H,1-21,24-25,28-30H2.
What are the key properties of CID 163127733?
CID 163127733 has a molecular weight of 508.88 g/mol, XLogP of 10.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163127733 is sourced from PubChem (CID 163127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).