1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine

C26H50N2 — CID 170230182

IUPAC1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine
SMILESCCCCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1
InChIInChI=1S/C26H50N2/c1-4-6-8-12-15-21-26(3,20-7-5-2)25(22-27-28-24-18-19-24)23-16-13-10-9-11-14-17-23/h16,24-25,27-28H,4-15,17-22H2,1-3H3/b23-16+
InChIKeyGJPFQYZXIKAAPS-XQNSMLJCSA-N
MW390.70 g/mol
LogP7.70
Rot. Bonds15

About 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine

1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine (PubChem CID 170230182) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine.

Molecular Properties

Compound Name1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine
PubChem CID170230182
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine
SMILESCCCCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1
InChIInChI=1S/C26H50N2/c1-4-6-8-12-15-21-26(3,20-7-5-2)25(22-27-28-24-18-19-24)23-16-13-10-9-11-14-17-23/h16,24-25,27-28H,4-15,17-22H2,1-3H3/b23-16+
InChIKeyGJPFQYZXIKAAPS-XQNSMLJCSA-N
XLogP7.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 57.70
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine?
The IUPAC name of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine (CID 170230182) is 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine.
What is the SMILES notation for 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine?
The canonical SMILES for 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine is CCCCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine?
The InChIKey is GJPFQYZXIKAAPS-XQNSMLJCSA-N. The full InChI is InChI=1S/C26H50N2/c1-4-6-8-12-15-21-26(3,20-7-5-2)25(22-27-28-24-18-19-24)23-16-13-10-9-11-14-17-23/h16,24-25,27-28H,4-15,17-22H2,1-3H3/b23-16+.
What are the key properties of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine?
1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine has a molecular weight of 390.70 g/mol, XLogP of 7.70, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyldecyl]-2-cyclopropylhydrazine is sourced from PubChem (CID 170230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).