10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene

C12H18N2 — CID 91183552

IUPAC10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene
SMILESCC(C)C1=CC=CC2NC=NC1C2C
InChIInChI=1S/C12H18N2/c1-8(2)10-5-4-6-11-9(3)12(10)14-7-13-11/h4-9,11-12H,1-3H3,(H,13,14)
InChIKeyKVSKHYLZLAEETR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.14
Rot. Bonds1

About 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene

10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene (PubChem CID 91183552) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene.

Molecular Properties

Compound Name10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene
PubChem CID91183552
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene
SMILESCC(C)C1=CC=CC2NC=NC1C2C
InChIInChI=1S/C12H18N2/c1-8(2)10-5-4-6-11-9(3)12(10)14-7-13-11/h4-9,11-12H,1-3H3,(H,13,14)
InChIKeyKVSKHYLZLAEETR-UHFFFAOYSA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene?
The IUPAC name of 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene (CID 91183552) is 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene.
What is the SMILES notation for 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene?
The canonical SMILES for 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene is CC(C)C1=CC=CC2NC=NC1C2C.
What is the InChIKey of 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene?
The InChIKey is KVSKHYLZLAEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)10-5-4-6-11-9(3)12(10)14-7-13-11/h4-9,11-12H,1-3H3,(H,13,14).
What are the key properties of 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene?
10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene has a molecular weight of 190.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene is sourced from PubChem (CID 91183552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).