[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

C17H33N3 — CID 106649180

IUPAC[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C17H33N3/c1-3-17(2,20-13-9-10-14-20)16(19-18)15-11-7-5-4-6-8-12-15/h11,16,19H,3-10,12-14,18H2,1-2H3
InChIKeyGQJITAICSXTRRF-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.36
Rot. Bonds5

About [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 106649180) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID106649180
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C17H33N3/c1-3-17(2,20-13-9-10-14-20)16(19-18)15-11-7-5-4-6-8-12-15/h11,16,19H,3-10,12-14,18H2,1-2H3
InChIKeyGQJITAICSXTRRF-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 106649180) is [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(C)(C(NN)C1=CCCCCCC1)N1CCCC1.
What is the InChIKey of [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is GQJITAICSXTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-17(2,20-13-9-10-14-20)16(19-18)15-11-7-5-4-6-8-12-15/h11,16,19H,3-10,12-14,18H2,1-2H3.
What are the key properties of [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 279.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 106649180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).