2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile

C20H25N3 — CID 610036

IUPAC2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile
SMILESC=C1c2[nH]c3ccccc3c2C(C#N)C(CC)C1CCN(C)C
InChIInChI=1S/C20H25N3/c1-5-14-15(10-11-23(3)4)13(2)20-19(17(14)12-21)16-8-6-7-9-18(16)22-20/h6-9,14-15,17,22H,2,5,10-11H2,1,3-4H3
InChIKeyPVAFUSWTGPTVIR-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.40
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile

2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile (PubChem CID 610036) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile
PubChem CID610036
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile
SMILESC=C1c2[nH]c3ccccc3c2C(C#N)C(CC)C1CCN(C)C
InChIInChI=1S/C20H25N3/c1-5-14-15(10-11-23(3)4)13(2)20-19(17(14)12-21)16-8-6-7-9-18(16)22-20/h6-9,14-15,17,22H,2,5,10-11H2,1,3-4H3
InChIKeyPVAFUSWTGPTVIR-UHFFFAOYSA-N
XLogP4.40
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile (CID 610036) is 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile is C=C1c2[nH]c3ccccc3c2C(C#N)C(CC)C1CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile?
The InChIKey is PVAFUSWTGPTVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-5-14-15(10-11-23(3)4)13(2)20-19(17(14)12-21)16-8-6-7-9-18(16)22-20/h6-9,14-15,17,22H,2,5,10-11H2,1,3-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile?
2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile has a molecular weight of 307.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile is sourced from PubChem (CID 610036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).