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

C16H31N3 — CID 106649181

IUPAC[1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)C1=CCCCCC1)N1CCCC1
InChIInChI=1S/C16H31N3/c1-3-16(2,19-12-8-9-13-19)15(18-17)14-10-6-4-5-7-11-14/h10,15,18H,3-9,11-13,17H2,1-2H3
InChIKeyITSHVDVGTIZWDF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.97
Rot. Bonds5

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

[1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 106649181) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID106649181
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)C1=CCCCCC1)N1CCCC1
InChIInChI=1S/C16H31N3/c1-3-16(2,19-12-8-9-13-19)15(18-17)14-10-6-4-5-7-11-14/h10,15,18H,3-9,11-13,17H2,1-2H3
InChIKeyITSHVDVGTIZWDF-UHFFFAOYSA-N
XLogP2.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.97
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-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 106649181) is [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(C)(C(NN)C1=CCCCCC1)N1CCCC1.
What is the InChIKey of [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is ITSHVDVGTIZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-16(2,19-12-8-9-13-19)15(18-17)14-10-6-4-5-7-11-14/h10,15,18H,3-9,11-13,17H2,1-2H3.
What are the key properties of [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 265.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 106649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).