1,2,6,7-tetrahydrocarbazol-9-amine

C12H14N2 — CID 167298271

IUPAC1,2,6,7-tetrahydrocarbazol-9-amine
SMILESNn1c2c(c3c1=CCCC=3)C=CCC2
InChIInChI=1S/C12H14N2/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,5-6,8H,2-4,7,13H2
InChIKeyVXEMHYIINFVCBW-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.52
Rot. Bonds

About 1,2,6,7-tetrahydrocarbazol-9-amine

1,2,6,7-tetrahydrocarbazol-9-amine (PubChem CID 167298271) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,6,7-tetrahydrocarbazol-9-amine.

Molecular Properties

Compound Name1,2,6,7-tetrahydrocarbazol-9-amine
PubChem CID167298271
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,6,7-tetrahydrocarbazol-9-amine
SMILESNn1c2c(c3c1=CCCC=3)C=CCC2
InChIInChI=1S/C12H14N2/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,5-6,8H,2-4,7,13H2
InChIKeyVXEMHYIINFVCBW-UHFFFAOYSA-N
XLogP0.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetrahydrocarbazol-9-amine?
The IUPAC name of 1,2,6,7-tetrahydrocarbazol-9-amine (CID 167298271) is 1,2,6,7-tetrahydrocarbazol-9-amine.
What is the SMILES notation for 1,2,6,7-tetrahydrocarbazol-9-amine?
The canonical SMILES for 1,2,6,7-tetrahydrocarbazol-9-amine is Nn1c2c(c3c1=CCCC=3)C=CCC2.
What is the InChIKey of 1,2,6,7-tetrahydrocarbazol-9-amine?
The InChIKey is VXEMHYIINFVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,5-6,8H,2-4,7,13H2.
What are the key properties of 1,2,6,7-tetrahydrocarbazol-9-amine?
1,2,6,7-tetrahydrocarbazol-9-amine has a molecular weight of 186.26 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetrahydrocarbazol-9-amine is sourced from PubChem (CID 167298271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).