8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine

C14H18N2 — CID 84740036

IUPAC8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
SMILESCc1cccc2c3c(n(C)c12)CCCC3N
InChIInChI=1S/C14H18N2/c1-9-5-3-6-10-13-11(15)7-4-8-12(13)16(2)14(9)10/h3,5-6,11H,4,7-8,15H2,1-2H3
InChIKeyFJVDCDWQTUBBCY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds

About 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine

8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine (PubChem CID 84740036) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine.

Molecular Properties

Compound Name8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
PubChem CID84740036
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
SMILESCc1cccc2c3c(n(C)c12)CCCC3N
InChIInChI=1S/C14H18N2/c1-9-5-3-6-10-13-11(15)7-4-8-12(13)16(2)14(9)10/h3,5-6,11H,4,7-8,15H2,1-2H3
InChIKeyFJVDCDWQTUBBCY-UHFFFAOYSA-N
XLogP2.82
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine?
The IUPAC name of 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine (CID 84740036) is 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine.
What is the SMILES notation for 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine?
The canonical SMILES for 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine is Cc1cccc2c3c(n(C)c12)CCCC3N.
What is the InChIKey of 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine?
The InChIKey is FJVDCDWQTUBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-5-3-6-10-13-11(15)7-4-8-12(13)16(2)14(9)10/h3,5-6,11H,4,7-8,15H2,1-2H3.
What are the key properties of 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine?
8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine has a molecular weight of 214.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine is sourced from PubChem (CID 84740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).