1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine

C24H38N2 — CID 143352157

IUPAC1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)CCC(NC(=C)NC(C)C1CC2=CC(/C=C\C/C=C\2)C1)C(C)C
InChIInChI=1S/C24H38N2/c1-17(2)12-13-24(18(3)4)26-20(6)25-19(5)23-15-21-10-8-7-9-11-22(14-21)16-23/h8-11,14,18-19,21,23-26H,1,6-7,12-13,15-16H2,2-5H3/b10-8-,11-9-
InChIKeyLIDIEVJZBFBOIU-WGEIWTTOSA-N
MW354.58 g/mol
LogP5.87
Rot. Bonds9

About 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine

1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine (PubChem CID 143352157) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine
PubChem CID143352157
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)CCC(NC(=C)NC(C)C1CC2=CC(/C=C\C/C=C\2)C1)C(C)C
InChIInChI=1S/C24H38N2/c1-17(2)12-13-24(18(3)4)26-20(6)25-19(5)23-15-21-10-8-7-9-11-22(14-21)16-23/h8-11,14,18-19,21,23-26H,1,6-7,12-13,15-16H2,2-5H3/b10-8-,11-9-
InChIKeyLIDIEVJZBFBOIU-WGEIWTTOSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine (CID 143352157) is 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine is C=C(C)CCC(NC(=C)NC(C)C1CC2=CC(/C=C\C/C=C\2)C1)C(C)C.
What is the InChIKey of 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine?
The InChIKey is LIDIEVJZBFBOIU-WGEIWTTOSA-N. The full InChI is InChI=1S/C24H38N2/c1-17(2)12-13-24(18(3)4)26-20(6)25-19(5)23-15-21-10-8-7-9-11-22(14-21)16-23/h8-11,14,18-19,21,23-26H,1,6-7,12-13,15-16H2,2-5H3/b10-8-,11-9-.
What are the key properties of 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine?
1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine has a molecular weight of 354.58 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143352157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).