CID 91076873

C26H42N- — CID 91076873

IUPAC—
SMILESC=C1C=NC(CCC(CC)CC(C2CCCC2)C2(C)CC2C)=CC(CC)[CH-]1
InChIInChI=1S/C26H42N/c1-6-21(12-13-24-15-22(7-2)14-19(3)18-27-24)16-25(23-10-8-9-11-23)26(5)17-20(26)4/h14-15,18,20-23,25H,3,6-13,16-17H2,1-2,4-5H3/q-1
InChIKeyHGIDBZNGWKTBJN-UHFFFAOYSA-N
MW368.63 g/mol
LogP7.79
Rot. Bonds9

About CID 91076873

CID 91076873 (PubChem CID 91076873) has the molecular formula C26H42N- and a molecular weight of 368.63 g/mol.

Molecular Properties

Compound NameCID 91076873
PubChem CID91076873
Molecular FormulaC26H42N-
Molecular Weight368.63 g/mol
Exact Mass368.33
IUPAC Name—
SMILESC=C1C=NC(CCC(CC)CC(C2CCCC2)C2(C)CC2C)=CC(CC)[CH-]1
InChIInChI=1S/C26H42N/c1-6-21(12-13-24-15-22(7-2)14-19(3)18-27-24)16-25(23-10-8-9-11-23)26(5)17-20(26)4/h14-15,18,20-23,25H,3,6-13,16-17H2,1-2,4-5H3/q-1
InChIKeyHGIDBZNGWKTBJN-UHFFFAOYSA-N
XLogP7.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91076873?
The IUPAC name of CID 91076873 (CID 91076873) is not available.
What is the SMILES notation for CID 91076873?
The canonical SMILES for CID 91076873 is C=C1C=NC(CCC(CC)CC(C2CCCC2)C2(C)CC2C)=CC(CC)[CH-]1.
What is the InChIKey of CID 91076873?
The InChIKey is HGIDBZNGWKTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N/c1-6-21(12-13-24-15-22(7-2)14-19(3)18-27-24)16-25(23-10-8-9-11-23)26(5)17-20(26)4/h14-15,18,20-23,25H,3,6-13,16-17H2,1-2,4-5H3/q-1.
What are the key properties of CID 91076873?
CID 91076873 has a molecular weight of 368.63 g/mol, XLogP of 7.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91076873 is sourced from PubChem (CID 91076873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).