(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine

C15H25FN2 — CID 146550620

IUPAC(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
SMILESC/C=C/C(N)=C(NCC(C)C)\C(=C(/C)F)C1CC1
InChIInChI=1S/C15H25FN2/c1-5-6-13(17)15(18-9-10(2)3)14(11(4)16)12-7-8-12/h5-6,10,12,18H,7-9,17H2,1-4H3/b6-5+,14-11+,15-13-
InChIKeyTXVYNKSOLVUCJK-BJGUEGTESA-N
MW252.38 g/mol
LogP3.63
Rot. Bonds6

About (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine

(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine (PubChem CID 146550620) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine.

Molecular Properties

Compound Name(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
PubChem CID146550620
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
SMILESC/C=C/C(N)=C(NCC(C)C)\C(=C(/C)F)C1CC1
InChIInChI=1S/C15H25FN2/c1-5-6-13(17)15(18-9-10(2)3)14(11(4)16)12-7-8-12/h5-6,10,12,18H,7-9,17H2,1-4H3/b6-5+,14-11+,15-13-
InChIKeyTXVYNKSOLVUCJK-BJGUEGTESA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-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

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
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
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
1-[(3Z,5E)-3-cyclopropyl-5-(2-fluoropropan-2-yl)hepta-1,3,5-trien-2-yl]piperazine
CID 131995787
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(2E,4Z,6Z)-5-N-[(Z)-1-cyclopropylprop-1-enyl]-4-fluoro-1-N-[(3Z)-4-fluoro-3-(fluoromethyl)hexa-1,3-dien-5-yn-2-yl]octa-2,4,6-triene-1,5-diamine
CID 134377447
(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
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
4-N-[2-[(1Z,3Z,5Z)-1-fluorohepta-1,3,5-trien-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 138715345
trans-(1R,2S)-2-(6-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)-N-methylcyclopropan-1-amine
CID 138715385

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine?
The IUPAC name of (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine (CID 146550620) is (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine.
What is the SMILES notation for (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine?
The canonical SMILES for (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine is C/C=C/C(N)=C(NCC(C)C)\C(=C(/C)F)C1CC1.
What is the InChIKey of (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine?
The InChIKey is TXVYNKSOLVUCJK-BJGUEGTESA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-6-13(17)15(18-9-10(2)3)14(11(4)16)12-7-8-12/h5-6,10,12,18H,7-9,17H2,1-4H3/b6-5+,14-11+,15-13-.
What are the key properties of (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine?
(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine is sourced from PubChem (CID 146550620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).