4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine

C18H32N2 — CID 175347269

IUPAC4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine
SMILESC1=CCCC(N2CCCCC/C=N/CC2)CCCCC1
InChIInChI=1S/C18H32N2/c1-2-4-8-12-18(13-9-5-3-1)20-16-11-7-6-10-14-19-15-17-20/h2,4,14,18H,1,3,5-13,15-17H2/b4-2?,19-14+
InChIKeyZAMKLTPGCFXAPI-MLRXOBEFSA-N
MW276.47 g/mol
LogP4.60
Rot. Bonds1

About 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine

4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine (PubChem CID 175347269) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine.

Molecular Properties

Compound Name4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine
PubChem CID175347269
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine
SMILESC1=CCCC(N2CCCCC/C=N/CC2)CCCCC1
InChIInChI=1S/C18H32N2/c1-2-4-8-12-18(13-9-5-3-1)20-16-11-7-6-10-14-19-15-17-20/h2,4,14,18H,1,3,5-13,15-17H2/b4-2?,19-14+
InChIKeyZAMKLTPGCFXAPI-MLRXOBEFSA-N
XLogP4.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
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 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine?
The IUPAC name of 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine (CID 175347269) is 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine.
What is the SMILES notation for 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine?
The canonical SMILES for 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine is C1=CCCC(N2CCCCC/C=N/CC2)CCCCC1.
What is the InChIKey of 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine?
The InChIKey is ZAMKLTPGCFXAPI-MLRXOBEFSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-4-8-12-18(13-9-5-3-1)20-16-11-7-6-10-14-19-15-17-20/h2,4,14,18H,1,3,5-13,15-17H2/b4-2?,19-14+.
What are the key properties of 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine?
4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine has a molecular weight of 276.47 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclodec-4-en-1-yl-3,5,6,7,8,9-hexahydro-2H-1,4-diazecine is sourced from PubChem (CID 175347269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).