CID 163127732

C35H60N2 — CID 163127732

IUPAC—
SMILESC1=C[C-]2C=[N+]([CH-]1)CCCCCCCCCCCC1=C[NH+](CC=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C35H59N2/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/h22-23,26-27,31-33H,1-21,24-25,28-30H2/q-1/p+1
InChIKeyDYIDLBZONSAFEG-UHFFFAOYSA-O
MW508.88 g/mol
LogP8.70
Rot. Bonds

About CID 163127732

CID 163127732 (PubChem CID 163127732) has the molecular formula C35H60N2 and a molecular weight of 508.88 g/mol.

Molecular Properties

Compound NameCID 163127732
PubChem CID163127732
Molecular FormulaC35H60N2
Molecular Weight508.88 g/mol
Exact Mass508.48
IUPAC Name—
SMILESC1=C[C-]2C=[N+]([CH-]1)CCCCCCCCCCCC1=C[NH+](CC=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C35H59N2/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/h22-23,26-27,31-33H,1-21,24-25,28-30H2/q-1/p+1
InChIKeyDYIDLBZONSAFEG-UHFFFAOYSA-O
XLogP8.70
TPSA7.45 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 163127732?
The IUPAC name of CID 163127732 (CID 163127732) is not available.
What is the SMILES notation for CID 163127732?
The canonical SMILES for CID 163127732 is C1=C[C-]2C=[N+]([CH-]1)CCCCCCCCCCCC1=C[NH+](CC=C1)CCCCCCCCCCCCCC2.
What is the InChIKey of CID 163127732?
The InChIKey is DYIDLBZONSAFEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C35H59N2/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/h22-23,26-27,31-33H,1-21,24-25,28-30H2/q-1/p+1.
What are the key properties of CID 163127732?
CID 163127732 has a molecular weight of 508.88 g/mol, XLogP of 8.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163127732 is sourced from PubChem (CID 163127732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).