3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine

C16H21N3 — CID 117391793

IUPAC3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
SMILESNCCCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C16H21N3/c17-8-2-4-12-3-1-5-13-14-11-6-9-19(10-7-11)16(14)18-15(12)13/h1,3,5,11,18H,2,4,6-10,17H2
InChIKeyVSOQOTSPPUCGHD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.76
Rot. Bonds3

About 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine

3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine (PubChem CID 117391793) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine.

Molecular Properties

Compound Name3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
PubChem CID117391793
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
SMILESNCCCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C16H21N3/c17-8-2-4-12-3-1-5-13-14-11-6-9-19(10-7-11)16(14)18-15(12)13/h1,3,5,11,18H,2,4,6-10,17H2
InChIKeyVSOQOTSPPUCGHD-UHFFFAOYSA-N
XLogP2.76
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine?
The IUPAC name of 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine (CID 117391793) is 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine.
What is the SMILES notation for 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine?
The canonical SMILES for 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine is NCCCc1cccc2c3c([nH]c12)N1CCC3CC1.
What is the InChIKey of 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine?
The InChIKey is VSOQOTSPPUCGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-8-2-4-12-3-1-5-13-14-11-6-9-19(10-7-11)16(14)18-15(12)13/h1,3,5,11,18H,2,4,6-10,17H2.
What are the key properties of 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine?
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine is sourced from PubChem (CID 117391793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).