6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine

C14H19N — CID 19107042

IUPAC6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
SMILESNC12CCCCCC1Cc1ccccc12
InChIInChI=1S/C14H19N/c15-14-9-5-1-2-7-12(14)10-11-6-3-4-8-13(11)14/h3-4,6,8,12H,1-2,5,7,9-10,15H2
InChIKeyFBPLUINZXYUXPM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.98
Rot. Bonds

About 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine

6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine (PubChem CID 19107042) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine.

Molecular Properties

Compound Name6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
PubChem CID19107042
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
SMILESNC12CCCCCC1Cc1ccccc12
InChIInChI=1S/C14H19N/c15-14-9-5-1-2-7-12(14)10-11-6-3-4-8-13(11)14/h3-4,6,8,12H,1-2,5,7,9-10,15H2
InChIKeyFBPLUINZXYUXPM-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The IUPAC name of 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine (CID 19107042) is 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine.
What is the SMILES notation for 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The canonical SMILES for 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine is NC12CCCCCC1Cc1ccccc12.
What is the InChIKey of 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The InChIKey is FBPLUINZXYUXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-14-9-5-1-2-7-12(14)10-11-6-3-4-8-13(11)14/h3-4,6,8,12H,1-2,5,7,9-10,15H2.
What are the key properties of 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine has a molecular weight of 201.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine is sourced from PubChem (CID 19107042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).