2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine

C15H20FN3 — CID 143343742

IUPAC2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine
SMILESC=C1C(N)=C(NC2=C(F)C=CC(CNC)=CC2)C1C
InChIInChI=1S/C15H20FN3/c1-9-10(2)15(14(9)17)19-13-7-5-11(8-18-3)4-6-12(13)16/h4-6,10,18-19H,1,7-8,17H2,2-3H3
InChIKeyGWKMDRYFYPAZEM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.24
Rot. Bonds4

About 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine

2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine (PubChem CID 143343742) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine
PubChem CID143343742
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine
SMILESC=C1C(N)=C(NC2=C(F)C=CC(CNC)=CC2)C1C
InChIInChI=1S/C15H20FN3/c1-9-10(2)15(14(9)17)19-13-7-5-11(8-18-3)4-6-12(13)16/h4-6,10,18-19H,1,7-8,17H2,2-3H3
InChIKeyGWKMDRYFYPAZEM-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine 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

(E)-2-bromo-1-cyclobutyl-N-[(7-fluorocyclohepta-1,3,5-trien-1-yl)methyl]prop-1-en-1-amine
CID 126490956
N-[[(2Z)-4-fluoro-8-methyl-8-azabicyclo[5.3.1]undeca-2,5,7(11),9-tetraen-10-yl]methyl]butan-1-amine
CID 126583206
3-N-[(3E,5E,6E)-5-[(Z)-but-2-enylidene]-10-fluoro-4,10-dimethylundeca-1,3,6-trien-2-yl]-1-N-ethenyl-2-ethylbut-3-ene-1,3-diamine
CID 130285114
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
CID 142326450
(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
CID 143686557

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine?
The IUPAC name of 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine (CID 143343742) is 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine.
What is the SMILES notation for 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine?
The canonical SMILES for 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine is C=C1C(N)=C(NC2=C(F)C=CC(CNC)=CC2)C1C.
What is the InChIKey of 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine?
The InChIKey is GWKMDRYFYPAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-9-10(2)15(14(9)17)19-13-7-5-11(8-18-3)4-6-12(13)16/h4-6,10,18-19H,1,7-8,17H2,2-3H3.
What are the key properties of 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine?
2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine has a molecular weight of 261.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine is sourced from PubChem (CID 143343742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).