4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine

C13H14N2 — CID 146237739

IUPAC4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine
SMILESNC1C=C2C=CC=CC2C2N=CC=CC12
InChIInChI=1S/C13H14N2/c14-12-8-9-4-1-2-5-10(9)13-11(12)6-3-7-15-13/h1-8,10-13H,14H2
InChIKeyKUKDBKIYSVLWTO-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.62
Rot. Bonds

About 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine

4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine (PubChem CID 146237739) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine.

Molecular Properties

Compound Name4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine
PubChem CID146237739
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine
SMILESNC1C=C2C=CC=CC2C2N=CC=CC12
InChIInChI=1S/C13H14N2/c14-12-8-9-4-1-2-5-10(9)13-11(12)6-3-7-15-13/h1-8,10-13H,14H2
InChIKeyKUKDBKIYSVLWTO-UHFFFAOYSA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine?
The IUPAC name of 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine (CID 146237739) is 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine.
What is the SMILES notation for 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine?
The canonical SMILES for 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine is NC1C=C2C=CC=CC2C2N=CC=CC12.
What is the InChIKey of 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine?
The InChIKey is KUKDBKIYSVLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-12-8-9-4-1-2-5-10(9)13-11(12)6-3-7-15-13/h1-8,10-13H,14H2.
What are the key properties of 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine?
4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine has a molecular weight of 198.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,10a,10b-tetrahydrobenzo[h]quinolin-5-amine is sourced from PubChem (CID 146237739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).