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

C24H46N2 — CID 170230168

IUPAC1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine
SMILESCCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1
InChIInChI=1S/C24H46N2/c1-4-6-13-19-24(3,18-7-5-2)23(20-25-26-22-16-17-22)21-14-11-9-8-10-12-15-21/h14,22-23,25-26H,4-13,15-20H2,1-3H3/b21-14+
InChIKeyXJRSIQXUWPQENW-KGENOOAVSA-N
MW362.65 g/mol
LogP6.92
Rot. Bonds13

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

1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine (PubChem CID 170230168) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine.

Molecular Properties

Compound Name1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine
PubChem CID170230168
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine
SMILESCCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1
InChIInChI=1S/C24H46N2/c1-4-6-13-19-24(3,18-7-5-2)23(20-25-26-22-16-17-22)21-14-11-9-8-10-12-15-21/h14,22-23,25-26H,4-13,15-20H2,1-3H3/b21-14+
InChIKeyXJRSIQXUWPQENW-KGENOOAVSA-N
XLogP6.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.92
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-methyloctyl]-2-cyclopropylhydrazine?
The IUPAC name of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine (CID 170230168) is 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine.
What is the SMILES notation for 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine?
The canonical SMILES for 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine is CCCCCC(C)(CCCC)C(CNNC1CC1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine?
The InChIKey is XJRSIQXUWPQENW-KGENOOAVSA-N. The full InChI is InChI=1S/C24H46N2/c1-4-6-13-19-24(3,18-7-5-2)23(20-25-26-22-16-17-22)21-14-11-9-8-10-12-15-21/h14,22-23,25-26H,4-13,15-20H2,1-3H3/b21-14+.
What are the key properties of 1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine?
1-[3-butyl-2-[(1Z)-cycloocten-1-yl]-3-methyloctyl]-2-cyclopropylhydrazine has a molecular weight of 362.65 g/mol, XLogP of 6.92, 13 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-methyloctyl]-2-cyclopropylhydrazine is sourced from PubChem (CID 170230168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).