(7Z)-7-ethyl-1,2-diazacycloundec-7-ene

C11H22N2 — CID 163994679

IUPAC(7Z)-7-ethyl-1,2-diazacycloundec-7-ene
SMILESCC/C1=C/CCCNNCCCC1
InChIInChI=1S/C11H22N2/c1-2-11-7-3-5-9-12-13-10-6-4-8-11/h7,12-13H,2-6,8-10H2,1H3/b11-7-
InChIKeyUDQNVUAJZNJOPH-XFFZJAGNSA-N
MW182.31 g/mol
LogP2.38
Rot. Bonds1

About (7Z)-7-ethyl-1,2-diazacycloundec-7-ene

(7Z)-7-ethyl-1,2-diazacycloundec-7-ene (PubChem CID 163994679) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (7Z)-7-ethyl-1,2-diazacycloundec-7-ene.

Molecular Properties

Compound Name(7Z)-7-ethyl-1,2-diazacycloundec-7-ene
PubChem CID163994679
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(7Z)-7-ethyl-1,2-diazacycloundec-7-ene
SMILESCC/C1=C/CCCNNCCCC1
InChIInChI=1S/C11H22N2/c1-2-11-7-3-5-9-12-13-10-6-4-8-11/h7,12-13H,2-6,8-10H2,1H3/b11-7-
InChIKeyUDQNVUAJZNJOPH-XFFZJAGNSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethyl-1,2-diazacycloundec-7-ene?
The IUPAC name of (7Z)-7-ethyl-1,2-diazacycloundec-7-ene (CID 163994679) is (7Z)-7-ethyl-1,2-diazacycloundec-7-ene.
What is the SMILES notation for (7Z)-7-ethyl-1,2-diazacycloundec-7-ene?
The canonical SMILES for (7Z)-7-ethyl-1,2-diazacycloundec-7-ene is CC/C1=C/CCCNNCCCC1.
What is the InChIKey of (7Z)-7-ethyl-1,2-diazacycloundec-7-ene?
The InChIKey is UDQNVUAJZNJOPH-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-11-7-3-5-9-12-13-10-6-4-8-11/h7,12-13H,2-6,8-10H2,1H3/b11-7-.
What are the key properties of (7Z)-7-ethyl-1,2-diazacycloundec-7-ene?
(7Z)-7-ethyl-1,2-diazacycloundec-7-ene has a molecular weight of 182.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethyl-1,2-diazacycloundec-7-ene is sourced from PubChem (CID 163994679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).