N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine

C26H49N — CID 123342308

IUPACN-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine
SMILESCCC=C/C=N/CC(CC)=C(C)C(C)CCC(CC)CCC(CC)C(C)C
InChIInChI=1S/C26H49N/c1-9-13-14-19-27-20-26(12-4)23(8)22(7)15-16-24(10-2)17-18-25(11-3)21(5)6/h13-14,19,21-22,24-25H,9-12,15-18,20H2,1-8H3/b14-13?,26-23?,27-19+
InChIKeyHUUPPHTWEVYTMF-WHQOFNFQSA-N
MW375.69 g/mol
LogP8.65
Rot. Bonds15

About N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine

N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine (PubChem CID 123342308) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine.

Molecular Properties

Compound NameN-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine
PubChem CID123342308
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC NameN-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine
SMILESCCC=C/C=N/CC(CC)=C(C)C(C)CCC(CC)CCC(CC)C(C)C
InChIInChI=1S/C26H49N/c1-9-13-14-19-27-20-26(12-4)23(8)22(7)15-16-24(10-2)17-18-25(11-3)21(5)6/h13-14,19,21-22,24-25H,9-12,15-18,20H2,1-8H3/b14-13?,26-23?,27-19+
InChIKeyHUUPPHTWEVYTMF-WHQOFNFQSA-N
XLogP8.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.65
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 N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine with MolForge

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Related Compounds

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CID 123811114

Frequently Asked Questions

What is the IUPAC name of N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine?
The IUPAC name of N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine (CID 123342308) is N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine.
What is the SMILES notation for N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine?
The canonical SMILES for N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine is CCC=C/C=N/CC(CC)=C(C)C(C)CCC(CC)CCC(CC)C(C)C.
What is the InChIKey of N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine?
The InChIKey is HUUPPHTWEVYTMF-WHQOFNFQSA-N. The full InChI is InChI=1S/C26H49N/c1-9-13-14-19-27-20-26(12-4)23(8)22(7)15-16-24(10-2)17-18-25(11-3)21(5)6/h13-14,19,21-22,24-25H,9-12,15-18,20H2,1-8H3/b14-13?,26-23?,27-19+.
What are the key properties of N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine?
N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine has a molecular weight of 375.69 g/mol, XLogP of 8.65, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine is sourced from PubChem (CID 123342308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).