6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C14H18N2 — CID 82275010

IUPAC6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCc1ccc2[nH]c3c(c2c1)CC(N)CC3
InChIInChI=1S/C14H18N2/c1-2-9-3-5-13-11(7-9)12-8-10(15)4-6-14(12)16-13/h3,5,7,10,16H,2,4,6,8,15H2,1H3
InChIKeyYLFREWHQQVJBOR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.55
Rot. Bonds1

About 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 82275010) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID82275010
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCc1ccc2[nH]c3c(c2c1)CC(N)CC3
InChIInChI=1S/C14H18N2/c1-2-9-3-5-13-11(7-9)12-8-10(15)4-6-14(12)16-13/h3,5,7,10,16H,2,4,6,8,15H2,1H3
InChIKeyYLFREWHQQVJBOR-UHFFFAOYSA-N
XLogP2.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 82275010) is 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CCc1ccc2[nH]c3c(c2c1)CC(N)CC3.
What is the InChIKey of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is YLFREWHQQVJBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-3-5-13-11(7-9)12-8-10(15)4-6-14(12)16-13/h3,5,7,10,16H,2,4,6,8,15H2,1H3.
What are the key properties of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 214.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 82275010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).