7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine

C17H31N3 — CID 18678121

IUPAC7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
SMILESC1=C\CCCC(N2CCC/N=C\NCCC2)CCCC/1
InChIInChI=1S/C17H31N3/c1-2-4-6-10-17(11-7-5-3-1)20-14-8-12-18-16-19-13-9-15-20/h1-2,16-17H,3-15H2,(H,18,19)/b2-1-
InChIKeyLRMYQHYVEDFJDF-UPHRSURJSA-N
MW277.46 g/mol
LogP3.37
Rot. Bonds1

About 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine

7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine (PubChem CID 18678121) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine.

Molecular Properties

Compound Name7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
PubChem CID18678121
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
SMILESC1=C\CCCC(N2CCC/N=C\NCCC2)CCCC/1
InChIInChI=1S/C17H31N3/c1-2-4-6-10-17(11-7-5-3-1)20-14-8-12-18-16-19-13-9-15-20/h1-2,16-17H,3-15H2,(H,18,19)/b2-1-
InChIKeyLRMYQHYVEDFJDF-UPHRSURJSA-N
XLogP3.37
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine with MolForge

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Related Compounds

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CID 53729271
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CID 53858374
3-octadec-9-en-2-yl-4,5-dihydro-1H-imidazol-3-ium
CID 54143369
(Z)-N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505023
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505027
7-cyclodec-5-en-1-yl-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
CID 70001630
3-(4,5-Dihydroimidazol-1-yl)nonadec-4-en-1-amine
CID 70519020
1-(Cycloundecen-1-yl)-3-aza-1-azoniacycloundecene
CID 77592478
(Z)-3-(4,5-dihydroimidazol-1-yl)icos-11-en-2-amine
CID 89511017
(Z)-3-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine
CID 89511018
3-icos-11-en-5-yl-4,5-dihydro-1H-imidazol-3-ium
CID 90964855
N-[4-(4,5-dihydro-1H-imidazol-5-yl)butyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 123163577

Frequently Asked Questions

What is the IUPAC name of 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine?
The IUPAC name of 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine (CID 18678121) is 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine.
What is the SMILES notation for 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine?
The canonical SMILES for 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine is C1=C\CCCC(N2CCC/N=C\NCCC2)CCCC/1.
What is the InChIKey of 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine?
The InChIKey is LRMYQHYVEDFJDF-UPHRSURJSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-4-6-10-17(11-7-5-3-1)20-14-8-12-18-16-19-13-9-15-20/h1-2,16-17H,3-15H2,(H,18,19)/b2-1-.
What are the key properties of 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine?
7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine has a molecular weight of 277.46 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine is sourced from PubChem (CID 18678121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).