12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C13H18N2 — CID 54209390

IUPAC12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCCN1CCN2Cc3ccccc3C1C2
InChIInChI=1S/C13H18N2/c1-2-15-8-7-14-9-11-5-3-4-6-12(11)13(15)10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyPUWDIXDEJJNLHL-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.88
Rot. Bonds1

About 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 54209390) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID54209390
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCCN1CCN2Cc3ccccc3C1C2
InChIInChI=1S/C13H18N2/c1-2-15-8-7-14-9-11-5-3-4-6-12(11)13(15)10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyPUWDIXDEJJNLHL-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70219436
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CID 56971515
1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine
CID 84670912
1-ethyl-2-phenyl-4-propan-2-ylpiperazine
CID 138492479
1-ethyl-4-methoxy-2-phenylpiperazine
CID 70136749
11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 59712101
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63939942
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 142148353
tert-butyl-hydroxy-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]sulfanium
CID 158139472
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine
CID 23456512
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine
CID 23456550

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 54209390) is 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is CCN1CCN2Cc3ccccc3C1C2.
What is the InChIKey of 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is PUWDIXDEJJNLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-15-8-7-14-9-11-5-3-4-6-12(11)13(15)10-14/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 202.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 54209390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).