2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine

C22H43N — CID 123504857

IUPAC2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine
SMILESCCCC(C)C(C)C(C)CCC(C)=CC(C)C(C)/C=N/C(C)C
InChIInChI=1S/C22H43N/c1-10-11-18(5)22(9)19(6)13-12-17(4)14-20(7)21(8)15-23-16(2)3/h14-16,18-22H,10-13H2,1-9H3/b17-14?,23-15+
InChIKeyXVJKWJYYXKAWPK-MLZLBPKSSA-N
MW321.59 g/mol
LogP7.17
Rot. Bonds11

About 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine

2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine (PubChem CID 123504857) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine.

Molecular Properties

Compound Name2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine
PubChem CID123504857
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine
SMILESCCCC(C)C(C)C(C)CCC(C)=CC(C)C(C)/C=N/C(C)C
InChIInChI=1S/C22H43N/c1-10-11-18(5)22(9)19(6)13-12-17(4)14-20(7)21(8)15-23-16(2)3/h14-16,18-22H,10-13H2,1-9H3/b17-14?,23-15+
InChIKeyXVJKWJYYXKAWPK-MLZLBPKSSA-N
XLogP7.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine?
The IUPAC name of 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine (CID 123504857) is 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine.
What is the SMILES notation for 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine?
The canonical SMILES for 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine is CCCC(C)C(C)C(C)CCC(C)=CC(C)C(C)/C=N/C(C)C.
What is the InChIKey of 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine?
The InChIKey is XVJKWJYYXKAWPK-MLZLBPKSSA-N. The full InChI is InChI=1S/C22H43N/c1-10-11-18(5)22(9)19(6)13-12-17(4)14-20(7)21(8)15-23-16(2)3/h14-16,18-22H,10-13H2,1-9H3/b17-14?,23-15+.
What are the key properties of 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine?
2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine has a molecular weight of 321.59 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine is sourced from PubChem (CID 123504857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).