3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile

C11H16FN3 — CID 154689470

IUPAC3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
SMILESCNCCN(C)C1=C(F)C=C(C#N)CC1
InChIInChI=1S/C11H16FN3/c1-14-5-6-15(2)11-4-3-9(8-13)7-10(11)12/h7,14H,3-6H2,1-2H3
InChIKeyGZHIQISSFRYLFR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.56
Rot. Bonds4

About 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile

3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 154689470) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
PubChem CID154689470
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
SMILESCNCCN(C)C1=C(F)C=C(C#N)CC1
InChIInChI=1S/C11H16FN3/c1-14-5-6-15(2)11-4-3-9(8-13)7-10(11)12/h7,14H,3-6H2,1-2H3
InChIKeyGZHIQISSFRYLFR-UHFFFAOYSA-N
XLogP1.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile 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

2-(2-Fluoro-4-piperazin-1-ylcyclohexa-1,3-dien-1-yl)-2-methylpropanenitrile
CID 70276803
(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
CID 142959114
4-[[(2R)-2-methylbutyl]amino]-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
CID 144950941
(Z)-2-[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hept-2-enenitrile
CID 146285710
(Z)-2-[1-(4-fluoro-2-methylidenepentyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hept-2-enenitrile
CID 167298024
5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-amine
CID 169033605
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
5-Amino-4-(4,4,4-trifluorobutylamino)cyclohexa-1,3-diene-1-carbonitrile
CID 148992394
(Z)-2-[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hex-2-enenitrile
CID 153377682
3-Methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
CID 142264322
4-(Ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile
CID 142860669
N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane
CID 143413643

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile (CID 154689470) is 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile is CNCCN(C)C1=C(F)C=C(C#N)CC1.
What is the InChIKey of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is GZHIQISSFRYLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-14-5-6-15(2)11-4-3-9(8-13)7-10(11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile?
3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 209.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 154689470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).