2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride

C12H15ClN2 — CID 69455512

IUPAC2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCl.NC1CCC2=Nc3ccccc3C2C1
InChIInChI=1S/C12H14N2.ClH/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-4,8,10H,5-7,13H2;1H
InChIKeyBCAVRQPYLBEHOO-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.79
Rot. Bonds

About 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride

2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride (PubChem CID 69455512) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride
PubChem CID69455512
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCl.NC1CCC2=Nc3ccccc3C2C1
InChIInChI=1S/C12H14N2.ClH/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-4,8,10H,5-7,13H2;1H
InChIKeyBCAVRQPYLBEHOO-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The IUPAC name of 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride (CID 69455512) is 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride.
What is the SMILES notation for 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The canonical SMILES for 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride is Cl.NC1CCC2=Nc3ccccc3C2C1.
What is the InChIKey of 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The InChIKey is BCAVRQPYLBEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-4,8,10H,5-7,13H2;1H.
What are the key properties of 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride?
2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydro-1H-carbazol-3-amine;hydrochloride is sourced from PubChem (CID 69455512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).