N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine

C24H49N3 — CID 145405640

IUPACN-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC
InChIInChI=1S/C24H49N3/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3
InChIKeyLLCLMLAMYNRCCU-UHFFFAOYSA-N
MW379.68 g/mol
LogP6.64
Rot. Bonds20

About N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine

N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine (PubChem CID 145405640) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
PubChem CID145405640
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC NameN-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC
InChIInChI=1S/C24H49N3/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3
InChIKeyLLCLMLAMYNRCCU-UHFFFAOYSA-N
XLogP6.64
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The IUPAC name of N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine (CID 145405640) is N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine.
What is the SMILES notation for N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The canonical SMILES for N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine is C=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC.
What is the InChIKey of N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The InChIKey is LLCLMLAMYNRCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3.
What are the key properties of N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine has a molecular weight of 379.68 g/mol, XLogP of 6.64, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine is sourced from PubChem (CID 145405640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).