10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene

C13H22N2 — CID 166966668

IUPAC10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene
SMILESCC(C)n1c2c(n1C)CCC1CC1CC2
InChIInChI=1S/C13H22N2/c1-9(2)15-13-7-5-11-8-10(11)4-6-12(13)14(15)3/h9-11H,4-8H2,1-3H3
InChIKeyCSTLGYJQXXXOMN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds1

About 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene

10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene (PubChem CID 166966668) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene.

Molecular Properties

Compound Name10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene
PubChem CID166966668
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene
SMILESCC(C)n1c2c(n1C)CCC1CC1CC2
InChIInChI=1S/C13H22N2/c1-9(2)15-13-7-5-11-8-10(11)4-6-12(13)14(15)3/h9-11H,4-8H2,1-3H3
InChIKeyCSTLGYJQXXXOMN-UHFFFAOYSA-N
XLogP2.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene?
The IUPAC name of 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene (CID 166966668) is 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene.
What is the SMILES notation for 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene?
The canonical SMILES for 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene is CC(C)n1c2c(n1C)CCC1CC1CC2.
What is the InChIKey of 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene?
The InChIKey is CSTLGYJQXXXOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)15-13-7-5-11-8-10(11)4-6-12(13)14(15)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene?
10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene has a molecular weight of 206.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene is sourced from PubChem (CID 166966668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).