11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene

C15H20N2 — CID 163454198

IUPAC11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene
SMILESCC1N=C2C=CC=C3CNC(C32)C1CC1CC1
InChIInChI=1S/C15H20N2/c1-9-12(7-10-5-6-10)15-14-11(8-16-15)3-2-4-13(14)17-9/h2-4,9-10,12,14-16H,5-8H2,1H3
InChIKeyBJBOFDTWXLQLDL-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.33
Rot. Bonds2

About 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene

11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene (PubChem CID 163454198) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene.

Molecular Properties

Compound Name11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene
PubChem CID163454198
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene
SMILESCC1N=C2C=CC=C3CNC(C32)C1CC1CC1
InChIInChI=1S/C15H20N2/c1-9-12(7-10-5-6-10)15-14-11(8-16-15)3-2-4-13(14)17-9/h2-4,9-10,12,14-16H,5-8H2,1H3
InChIKeyBJBOFDTWXLQLDL-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.33
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 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene?
The IUPAC name of 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene (CID 163454198) is 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene.
What is the SMILES notation for 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene?
The canonical SMILES for 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene is CC1N=C2C=CC=C3CNC(C32)C1CC1CC1.
What is the InChIKey of 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene?
The InChIKey is BJBOFDTWXLQLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-12(7-10-5-6-10)15-14-11(8-16-15)3-2-4-13(14)17-9/h2-4,9-10,12,14-16H,5-8H2,1H3.
What are the key properties of 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene?
11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene has a molecular weight of 228.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene is sourced from PubChem (CID 163454198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).