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

C18H35N3 — CID 106649196

IUPAC[1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C18H35N3/c1-3-18(4-2,21-14-10-11-15-21)17(20-19)16-12-8-6-5-7-9-13-16/h12,17,20H,3-11,13-15,19H2,1-2H3
InChIKeyKMYXBSPRMNBHTL-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.75
Rot. Bonds6

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

[1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 106649196) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID106649196
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C18H35N3/c1-3-18(4-2,21-14-10-11-15-21)17(20-19)16-12-8-6-5-7-9-13-16/h12,17,20H,3-11,13-15,19H2,1-2H3
InChIKeyKMYXBSPRMNBHTL-UHFFFAOYSA-N
XLogP3.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.75
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-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 106649196) is [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(CC)(C(NN)C1=CCCCCCC1)N1CCCC1.
What is the InChIKey of [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is KMYXBSPRMNBHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-18(4-2,21-14-10-11-15-21)17(20-19)16-12-8-6-5-7-9-13-16/h12,17,20H,3-11,13-15,19H2,1-2H3.
What are the key properties of [1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 293.50 g/mol, XLogP of 3.75, 6 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-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 106649196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).