9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine

C15H19N3 — CID 122397591

IUPAC9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine
SMILESCCCCc1c(C)cc2c3c(nc(N)nc13)CC2
InChIInChI=1S/C15H19N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h8H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyQWZHCEMCVBAUKJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.96
Rot. Bonds3

About 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine

9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine (PubChem CID 122397591) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine.

Molecular Properties

Compound Name9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine
PubChem CID122397591
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine
SMILESCCCCc1c(C)cc2c3c(nc(N)nc13)CC2
InChIInChI=1S/C15H19N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h8H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyQWZHCEMCVBAUKJ-UHFFFAOYSA-N
XLogP2.96
TPSA51.80 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine?
The IUPAC name of 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine (CID 122397591) is 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine.
What is the SMILES notation for 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine?
The canonical SMILES for 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine is CCCCc1c(C)cc2c3c(nc(N)nc13)CC2.
What is the InChIKey of 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine?
The InChIKey is QWZHCEMCVBAUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h8H,3-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine?
9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine has a molecular weight of 241.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-6-amine is sourced from PubChem (CID 122397591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).