11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

C12H18N2 — CID 157238451

IUPAC11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESCC(C)N1C2CCC1C1=C(CN=C1)C2
InChIInChI=1S/C12H18N2/c1-8(2)14-10-3-4-12(14)11-7-13-6-9(11)5-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIDEQXEOAJBXGJS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.01
Rot. Bonds1

About 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (PubChem CID 157238451) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.

Molecular Properties

Compound Name11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
PubChem CID157238451
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESCC(C)N1C2CCC1C1=C(CN=C1)C2
InChIInChI=1S/C12H18N2/c1-8(2)14-10-3-4-12(14)11-7-13-6-9(11)5-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIDEQXEOAJBXGJS-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole
CID 155936115
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
5-(1-Methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 174192908

Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The IUPAC name of 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (CID 157238451) is 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.
What is the SMILES notation for 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The canonical SMILES for 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is CC(C)N1C2CCC1C1=C(CN=C1)C2.
What is the InChIKey of 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The InChIKey is IDEQXEOAJBXGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)14-10-3-4-12(14)11-7-13-6-9(11)5-10/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene has a molecular weight of 190.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is sourced from PubChem (CID 157238451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).