4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine

C16H24N4 — CID 54509393

IUPAC4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine
SMILESCc1nc2c(N)nc3c(c2n1CC(C)C)CCCCC3
InChIInChI=1S/C16H24N4/c1-10(2)9-20-11(3)18-14-15(20)12-7-5-4-6-8-13(12)19-16(14)17/h10H,4-9H2,1-3H3,(H2,17,19)
InChIKeyYIARDSFXDJBKRW-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.25
Rot. Bonds2

About 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine

4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine (PubChem CID 54509393) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine
PubChem CID54509393
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine
SMILESCc1nc2c(N)nc3c(c2n1CC(C)C)CCCCC3
InChIInChI=1S/C16H24N4/c1-10(2)9-20-11(3)18-14-15(20)12-7-5-4-6-8-13(12)19-16(14)17/h10H,4-9H2,1-3H3,(H2,17,19)
InChIKeyYIARDSFXDJBKRW-UHFFFAOYSA-N
XLogP3.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine (CID 54509393) is 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine is Cc1nc2c(N)nc3c(c2n1CC(C)C)CCCCC3.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine?
The InChIKey is YIARDSFXDJBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-10(2)9-20-11(3)18-14-15(20)12-7-5-4-6-8-13(12)19-16(14)17/h10H,4-9H2,1-3H3,(H2,17,19).
What are the key properties of 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine?
4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine has a molecular weight of 272.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine is sourced from PubChem (CID 54509393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).