(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine

C15H19N3 — CID 117274379

IUPAC(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine
SMILESCn1c2c(c3cc(CN)ccc31)C1CCN2CC1
InChIInChI=1S/C15H19N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyRLHKJYBSQFYUSC-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.33
Rot. Bonds1

About (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine

(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine (PubChem CID 117274379) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine.

Molecular Properties

Compound Name(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine
PubChem CID117274379
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine
SMILESCn1c2c(c3cc(CN)ccc31)C1CCN2CC1
InChIInChI=1S/C15H19N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyRLHKJYBSQFYUSC-UHFFFAOYSA-N
XLogP2.33
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine?
The IUPAC name of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine (CID 117274379) is (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine.
What is the SMILES notation for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine?
The canonical SMILES for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine is Cn1c2c(c3cc(CN)ccc31)C1CCN2CC1.
What is the InChIKey of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine?
The InChIKey is RLHKJYBSQFYUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-17-13-3-2-10(9-16)8-12(13)14-11-4-6-18(7-5-11)15(14)17/h2-3,8,11H,4-7,9,16H2,1H3.
What are the key properties of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine?
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanamine is sourced from PubChem (CID 117274379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).