10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine

C17H31N3 — CID 173268153

IUPAC10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine
SMILESC1=CC(C2CCNCCC/N=C\N2)CCCCCCC1
InChIInChI=1S/C17H31N3/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20)
InChIKeyMBQAUCPWUWNSAJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.27
Rot. Bonds1

About 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine

10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine (PubChem CID 173268153) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine.

Molecular Properties

Compound Name10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine
PubChem CID173268153
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine
SMILESC1=CC(C2CCNCCC/N=C\N2)CCCCCCC1
InChIInChI=1S/C17H31N3/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20)
InChIKeyMBQAUCPWUWNSAJ-UHFFFAOYSA-N
XLogP3.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine with MolForge

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Related Compounds

5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 66658868
7-cyclodec-5-en-1-yl-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
CID 70001630
(Z)-3-(4,5-dihydroimidazol-1-yl)-4-hexadecyl-N-[(Z)-17-methyltetratriacont-25-en-17-yl]icos-11-en-1-amine
CID 88456494
5-methyl-7-(9-methyl-4-methylidenedodec-10-enyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 123598624
Ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 142171926
2-Chloro-4,6-di(cyclohex-2-en-1-yl)-1,4,5,6-tetrahydropyrimidine
CID 163457536
1,4,4a,5,8,8a-Hexahydroquinazolin-3-ium
CID 173071818
1,4,4a,5,8,8a-Hexahydroquinazoline
CID 173071819
Chromium(2+);10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine;bis(diethylazanide)
CID 173268152
7-[(5Z)-cyclodec-5-en-1-yl]-4,5,6,8,9,10-hexahydro-1H-1,3,7-triazecine
CID 18678121
3-[(Z)-3-methylnonadec-10-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium
CID 87786081
(Z)-3-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-methylnonadec-10-en-1-amine
CID 88354323

Frequently Asked Questions

What is the IUPAC name of 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine?
The IUPAC name of 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine (CID 173268153) is 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine.
What is the SMILES notation for 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine?
The canonical SMILES for 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine is C1=CC(C2CCNCCC/N=C\N2)CCCCCCC1.
What is the InChIKey of 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine?
The InChIKey is MBQAUCPWUWNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-4-6-9-16(10-7-5-3-1)17-11-14-18-12-8-13-19-15-20-17/h6,9,15-18H,1-5,7-8,10-14H2,(H,19,20).
What are the key properties of 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine?
10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine has a molecular weight of 277.46 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclodec-2-en-1-yl-1,4,5,6,7,8,9,10-octahydro-1,3,7-triazecine is sourced from PubChem (CID 173268153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).