1-ethyl-9H-carbazole-2,7-diamine

C14H15N3 — CID 69231599

IUPAC1-ethyl-9H-carbazole-2,7-diamine
SMILESCCc1c(N)ccc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C14H15N3/c1-2-9-12(16)6-5-11-10-4-3-8(15)7-13(10)17-14(9)11/h3-7,17H,2,15-16H2,1H3
InChIKeyJYKSJCAPYDLZDE-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.05
Rot. Bonds1

About 1-ethyl-9H-carbazole-2,7-diamine

1-ethyl-9H-carbazole-2,7-diamine (PubChem CID 69231599) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-9H-carbazole-2,7-diamine.

Molecular Properties

Compound Name1-ethyl-9H-carbazole-2,7-diamine
PubChem CID69231599
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name1-ethyl-9H-carbazole-2,7-diamine
SMILESCCc1c(N)ccc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C14H15N3/c1-2-9-12(16)6-5-11-10-4-3-8(15)7-13(10)17-14(9)11/h3-7,17H,2,15-16H2,1H3
InChIKeyJYKSJCAPYDLZDE-UHFFFAOYSA-N
XLogP3.05
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9H-carbazole-2,7-diamine?
The IUPAC name of 1-ethyl-9H-carbazole-2,7-diamine (CID 69231599) is 1-ethyl-9H-carbazole-2,7-diamine.
What is the SMILES notation for 1-ethyl-9H-carbazole-2,7-diamine?
The canonical SMILES for 1-ethyl-9H-carbazole-2,7-diamine is CCc1c(N)ccc2c1[nH]c1cc(N)ccc12.
What is the InChIKey of 1-ethyl-9H-carbazole-2,7-diamine?
The InChIKey is JYKSJCAPYDLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-9-12(16)6-5-11-10-4-3-8(15)7-13(10)17-14(9)11/h3-7,17H,2,15-16H2,1H3.
What are the key properties of 1-ethyl-9H-carbazole-2,7-diamine?
1-ethyl-9H-carbazole-2,7-diamine has a molecular weight of 225.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9H-carbazole-2,7-diamine is sourced from PubChem (CID 69231599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).