1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine

C31H62N2 — CID 134171508

IUPAC1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
SMILESC=CC(C)C(C)CC(C)(C)CCC(C)(C)CCNC(=C)NCC(C)(C)CCC(C)(C)CCC
InChIInChI=1S/C31H62N2/c1-14-16-28(6,7)18-20-31(12,13)24-33-27(5)32-22-21-29(8,9)17-19-30(10,11)23-26(4)25(3)15-2/h15,25-26,32-33H,2,5,14,16-24H2,1,3-4,6-13H3
InChIKeyXLUGCCUNZUORMA-UHFFFAOYSA-N
MW462.85 g/mol
LogP9.34
Rot. Bonds19

About 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine

1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine (PubChem CID 134171508) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
PubChem CID134171508
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
SMILESC=CC(C)C(C)CC(C)(C)CCC(C)(C)CCNC(=C)NCC(C)(C)CCC(C)(C)CCC
InChIInChI=1S/C31H62N2/c1-14-16-28(6,7)18-20-31(12,13)24-33-27(5)32-22-21-29(8,9)17-19-30(10,11)23-26(4)25(3)15-2/h15,25-26,32-33H,2,5,14,16-24H2,1,3-4,6-13H3
InChIKeyXLUGCCUNZUORMA-UHFFFAOYSA-N
XLogP9.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine?
The IUPAC name of 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine (CID 134171508) is 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine is C=CC(C)C(C)CC(C)(C)CCC(C)(C)CCNC(=C)NCC(C)(C)CCC(C)(C)CCC.
What is the InChIKey of 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine?
The InChIKey is XLUGCCUNZUORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-14-16-28(6,7)18-20-31(12,13)24-33-27(5)32-22-21-29(8,9)17-19-30(10,11)23-26(4)25(3)15-2/h15,25-26,32-33H,2,5,14,16-24H2,1,3-4,6-13H3.
What are the key properties of 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine?
1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine has a molecular weight of 462.85 g/mol, XLogP of 9.34, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine is sourced from PubChem (CID 134171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).