(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine

C17H26F3N5 — CID 146397201

IUPAC(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine
SMILESC=C(N/C(C)=C/C=C(/F)C1=CC(N)CC1N)/C(=C/NC)C(N)C(F)F
InChIInChI=1S/C17H26F3N5/c1-9(4-5-14(18)12-6-11(21)7-15(12)22)25-10(2)13(8-24-3)16(23)17(19)20/h4-6,8,11,15-17,24-25H,2,7,21-23H2,1,3H3/b9-4+,13-8-,14-5+
InChIKeyGKKOWFVDGQOJJH-QRCYECORSA-N
MW357.42 g/mol
LogP1.53
Rot. Bonds8

About (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine

(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine (PubChem CID 146397201) has the molecular formula C17H26F3N5 and a molecular weight of 357.42 g/mol. Its IUPAC name is (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine.

Molecular Properties

Compound Name(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine
PubChem CID146397201
Molecular FormulaC17H26F3N5
Molecular Weight357.42 g/mol
Exact Mass357.21
IUPAC Name(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine
SMILESC=C(N/C(C)=C/C=C(/F)C1=CC(N)CC1N)/C(=C/NC)C(N)C(F)F
InChIInChI=1S/C17H26F3N5/c1-9(4-5-14(18)12-6-11(21)7-15(12)22)25-10(2)13(8-24-3)16(23)17(19)20/h4-6,8,11,15-17,24-25H,2,7,21-23H2,1,3H3/b9-4+,13-8-,14-5+
InChIKeyGKKOWFVDGQOJJH-QRCYECORSA-N
XLogP1.53
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine with MolForge

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Related Compounds

6-[5-(difluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903987
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(difluoromethyl)-1,2-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085348
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
6-[(3E,5Z)-6-amino-7,7,7-trifluorohepta-3,5-dien-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89085398
(1Z,3Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-5-N-[(3E,5E)-6-chloro-4-fluoroocta-3,5,7-trienyl]hexa-1,3,5-triene-1,5-diamine
CID 89270695
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
N'-[1-(7-fluoro-5,6-dihydro-1H-indol-3-yl)ethenyl]-N-hexylpentane-1,5-diamine
CID 137414307
N-methyl-3-[(3Z)-3-(3-methylbut-2-enylidene)-2-methylidene-4-(trifluoromethyl)pyrrol-1-yl]cyclobutan-1-amine
CID 139425818

Frequently Asked Questions

What is the IUPAC name of (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine?
The IUPAC name of (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine (CID 146397201) is (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine.
What is the SMILES notation for (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine?
The canonical SMILES for (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine is C=C(N/C(C)=C/C=C(/F)C1=CC(N)CC1N)/C(=C/NC)C(N)C(F)F.
What is the InChIKey of (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine?
The InChIKey is GKKOWFVDGQOJJH-QRCYECORSA-N. The full InChI is InChI=1S/C17H26F3N5/c1-9(4-5-14(18)12-6-11(21)7-15(12)22)25-10(2)13(8-24-3)16(23)17(19)20/h4-6,8,11,15-17,24-25H,2,7,21-23H2,1,3H3/b9-4+,13-8-,14-5+.
What are the key properties of (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine?
(3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine has a molecular weight of 357.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N-[(2E,4E)-5-(3,5-diaminocyclopenten-1-yl)-5-fluoropenta-2,4-dien-2-yl]-5,5-difluoro-3-(methylaminomethylidene)pent-1-ene-2,4-diamine is sourced from PubChem (CID 146397201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).