3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine

C14H14N2 — CID 14372818

IUPAC3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine
SMILESNc1c2c(nc3ccccc13)C1CCC2C1
InChIInChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
InChIKeySTSMGBGTIPIGCZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.18
Rot. Bonds

About 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine

3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine (PubChem CID 14372818) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine.

Molecular Properties

Compound Name3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine
PubChem CID14372818
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine
SMILESNc1c2c(nc3ccccc13)C1CCC2C1
InChIInChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
InChIKeySTSMGBGTIPIGCZ-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine?
The IUPAC name of 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine (CID 14372818) is 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine.
What is the SMILES notation for 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine?
The canonical SMILES for 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine is Nc1c2c(nc3ccccc13)C1CCC2C1.
What is the InChIKey of 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine?
The InChIKey is STSMGBGTIPIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16).
What are the key properties of 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine?
3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine has a molecular weight of 210.28 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-10-amine is sourced from PubChem (CID 14372818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).