(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine

C14H16N2 — CID 163942685

IUPAC(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C14H16N2/c1-4-11(15)9-13-10(2)16(3)14-8-6-5-7-12(13)14/h4-9H,1,15H2,2-3H3/b11-9+
InChIKeyRSJJUWFTFMFCTF-PKNBQFBNSA-N
MW212.30 g/mol
LogP2.97
Rot. Bonds2

About (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine

(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine (PubChem CID 163942685) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine
PubChem CID163942685
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C14H16N2/c1-4-11(15)9-13-10(2)16(3)14-8-6-5-7-12(13)14/h4-9H,1,15H2,2-3H3/b11-9+
InChIKeyRSJJUWFTFMFCTF-PKNBQFBNSA-N
XLogP2.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-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

1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole
CID 71485412
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
1-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-prop-2-enylthiourea
CID 110508330
ethane;1,2,3-trimethylindole
CID 91590745
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
3-iodo-1,2-dimethylindole
CID 19093282
5-[(1,2-dimethylindol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91213032
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
(Z)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-naphthalen-2-ylprop-2-enamide
CID 21209389
2-amino-2-(1,2-dimethylindol-3-yl)propan-1-ol
CID 83535139

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine?
The IUPAC name of (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine (CID 163942685) is (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine.
What is the SMILES notation for (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine?
The canonical SMILES for (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine is C=C/C(N)=C\c1c(C)n(C)c2ccccc12.
What is the InChIKey of (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine?
The InChIKey is RSJJUWFTFMFCTF-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-11(15)9-13-10(2)16(3)14-8-6-5-7-12(13)14/h4-9H,1,15H2,2-3H3/b11-9+.
What are the key properties of (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine?
(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine has a molecular weight of 212.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine is sourced from PubChem (CID 163942685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).