3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine

C14H20N2 — CID 23133276

IUPAC3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine
SMILESNCCCN1CCc2cccc3c2C1CC3
InChIInChI=1S/C14H20N2/c15-8-2-9-16-10-7-12-4-1-3-11-5-6-13(16)14(11)12/h1,3-4,13H,2,5-10,15H2
InChIKeyCZTBAZSXDHYSIL-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.88
Rot. Bonds3

About 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine

3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine (PubChem CID 23133276) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine
PubChem CID23133276
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine
SMILESNCCCN1CCc2cccc3c2C1CC3
InChIInChI=1S/C14H20N2/c15-8-2-9-16-10-7-12-4-1-3-11-5-6-13(16)14(11)12/h1,3-4,13H,2,5-10,15H2
InChIKeyCZTBAZSXDHYSIL-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine?
The IUPAC name of 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine (CID 23133276) is 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine.
What is the SMILES notation for 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine?
The canonical SMILES for 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine is NCCCN1CCc2cccc3c2C1CC3.
What is the InChIKey of 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine?
The InChIKey is CZTBAZSXDHYSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-8-2-9-16-10-7-12-4-1-3-11-5-6-13(16)14(11)12/h1,3-4,13H,2,5-10,15H2.
What are the key properties of 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine?
3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl)propan-1-amine is sourced from PubChem (CID 23133276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).