acetic acid;9-ethylcarbazol-3-amine

C16H18N2O2 — CID 68649355

IUPACacetic acid;9-ethylcarbazol-3-amine
SMILESCC(=O)O.CCn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C14H14N2.C2H4O2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;1-2(3)4/h3-9H,2,15H2,1H3;1H3,(H,3,4)
InChIKeyPTRKRMCIZRHYED-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.49
Rot. Bonds1

About acetic acid;9-ethylcarbazol-3-amine

acetic acid;9-ethylcarbazol-3-amine (PubChem CID 68649355) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is acetic acid;9-ethylcarbazol-3-amine.

Molecular Properties

Compound Nameacetic acid;9-ethylcarbazol-3-amine
PubChem CID68649355
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameacetic acid;9-ethylcarbazol-3-amine
SMILESCC(=O)O.CCn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C14H14N2.C2H4O2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;1-2(3)4/h3-9H,2,15H2,1H3;1H3,(H,3,4)
InChIKeyPTRKRMCIZRHYED-UHFFFAOYSA-N
XLogP3.49
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;9-ethylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-9-ethylcarbazole
CID 8588
OC-000459
CID 11462174
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
9-ethyl-3-nitro-9H-carbazole
CID 66573
Luzindole
CID 122162
9H-Carbazole-9-methanol
CID 75480
N-ethyl carbazole
CID 6836
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
Etryptamine Acetate
CID 8366
3-(9H-carbazol-9-yl)propanoic acid
CID 219301
3-Acetamido-9-ethylcarbazole
CID 249414
9H-Carbazole, 9-(1-methylethyl)-
CID 73873

Frequently Asked Questions

What is the IUPAC name of acetic acid;9-ethylcarbazol-3-amine?
The IUPAC name of acetic acid;9-ethylcarbazol-3-amine (CID 68649355) is acetic acid;9-ethylcarbazol-3-amine.
What is the SMILES notation for acetic acid;9-ethylcarbazol-3-amine?
The canonical SMILES for acetic acid;9-ethylcarbazol-3-amine is CC(=O)O.CCn1c2ccccc2c2cc(N)ccc21.
What is the InChIKey of acetic acid;9-ethylcarbazol-3-amine?
The InChIKey is PTRKRMCIZRHYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C2H4O2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;1-2(3)4/h3-9H,2,15H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;9-ethylcarbazol-3-amine?
acetic acid;9-ethylcarbazol-3-amine has a molecular weight of 270.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;9-ethylcarbazol-3-amine is sourced from PubChem (CID 68649355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).