3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine

C15H19N3 — CID 91172355

IUPAC3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine
SMILESCC1=CC2=C3C=C(CCCN)C=CN3CN2C=C1
InChIInChI=1S/C15H19N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h4-5,7-10H,2-3,6,11,16H2,1H3
InChIKeyYFXRDXZKWXRNQZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.44
Rot. Bonds3

About 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine

3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine (PubChem CID 91172355) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine
PubChem CID91172355
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine
SMILESCC1=CC2=C3C=C(CCCN)C=CN3CN2C=C1
InChIInChI=1S/C15H19N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h4-5,7-10H,2-3,6,11,16H2,1H3
InChIKeyYFXRDXZKWXRNQZ-UHFFFAOYSA-N
XLogP2.44
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174362794
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CID 19049091
CID 19049091
CID 66996910
CID 66996910
CID 66997864
CID 66997864
CID 66997865
CID 66997865
CID 68215802
CID 68215802
CID 70856813
CID 70856813
CID 70856818
CID 70856818
CID 70856829
CID 70856829
CID 70856849
CID 70856849

Frequently Asked Questions

What is the IUPAC name of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine?
The IUPAC name of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine (CID 91172355) is 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine.
What is the SMILES notation for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine?
The canonical SMILES for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine is CC1=CC2=C3C=C(CCCN)C=CN3CN2C=C1.
What is the InChIKey of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine?
The InChIKey is YFXRDXZKWXRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h4-5,7-10H,2-3,6,11,16H2,1H3.
What are the key properties of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine?
3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine is sourced from PubChem (CID 91172355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).