1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine

C45H90N2 — CID 155485635

IUPAC1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(C(=C)CCCCCCC)N(C)C)CC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2/c1-9-13-17-21-22-27-33-39-45(47(46(7)8)43(6)36-30-25-18-14-10-2)40-34-28-24-23-26-29-35-42(5)41-44(37-31-19-15-11-3)38-32-20-16-12-4/h44-45H,5-6,9-41H2,1-4,7-8H3
InChIKeyPOTRJOGWEZJKFE-UHFFFAOYSA-N
MW659.23 g/mol
LogP15.77
Rot. Bonds38

About 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine

1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine (PubChem CID 155485635) has the molecular formula C45H90N2 and a molecular weight of 659.23 g/mol. Its IUPAC name is 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
PubChem CID155485635
Molecular FormulaC45H90N2
Molecular Weight659.23 g/mol
Exact Mass658.71
IUPAC Name1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(C(=C)CCCCCCC)N(C)C)CC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2/c1-9-13-17-21-22-27-33-39-45(47(46(7)8)43(6)36-30-25-18-14-10-2)40-34-28-24-23-26-29-35-42(5)41-44(37-31-19-15-11-3)38-32-20-16-12-4/h44-45H,5-6,9-41H2,1-4,7-8H3
InChIKeyPOTRJOGWEZJKFE-UHFFFAOYSA-N
XLogP15.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.23
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine 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 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine?
The IUPAC name of 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine (CID 155485635) is 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine.
What is the SMILES notation for 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine?
The canonical SMILES for 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine is C=C(CCCCCCCCC(CCCCCCCCC)N(C(=C)CCCCCCC)N(C)C)CC(CCCCCC)CCCCCC.
What is the InChIKey of 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine?
The InChIKey is POTRJOGWEZJKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H90N2/c1-9-13-17-21-22-27-33-39-45(47(46(7)8)43(6)36-30-25-18-14-10-2)40-34-28-24-23-26-29-35-42(5)41-44(37-31-19-15-11-3)38-32-20-16-12-4/h44-45H,5-6,9-41H2,1-4,7-8H3.
What are the key properties of 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine?
1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine has a molecular weight of 659.23 g/mol, XLogP of 15.77, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(21-hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine is sourced from PubChem (CID 155485635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).