4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine

C12H14N2 — CID 19983261

IUPAC4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine
SMILESNC1=CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-8,10-12,14H,13H2
InChIKeyDQTUPRCBHPUERQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.10
Rot. Bonds

About 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine

4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine (PubChem CID 19983261) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine
PubChem CID19983261
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine
SMILESNC1=CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-8,10-12,14H,13H2
InChIKeyDQTUPRCBHPUERQ-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine (CID 19983261) is 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine is NC1=CC=CC2NC3C=CC=CC3C12.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine?
The InChIKey is DQTUPRCBHPUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-8,10-12,14H,13H2.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine?
4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine has a molecular weight of 186.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine is sourced from PubChem (CID 19983261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).