(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine

C24H39FN2 — CID 165397845

IUPAC(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
SMILESC=C/C=C\C(=C/C)C(CCN(C)C(=C)CC(C)C)NC(=C)C1CC(C)(F)C1
InChIInChI=1S/C24H39FN2/c1-9-11-12-21(10-2)23(13-14-27(8)19(5)15-18(3)4)26-20(6)22-16-24(7,25)17-22/h9-12,18,22-23,26H,1,5-6,13-17H2,2-4,7-8H3/b12-11-,21-10+
InChIKeyDAGWNFWFFFWUBV-LHYQYHESSA-N
MW374.59 g/mol
LogP6.17
Rot. Bonds12

About (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine

(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine (PubChem CID 165397845) has the molecular formula C24H39FN2 and a molecular weight of 374.59 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
PubChem CID165397845
Molecular FormulaC24H39FN2
Molecular Weight374.59 g/mol
Exact Mass374.31
IUPAC Name(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
SMILESC=C/C=C\C(=C/C)C(CCN(C)C(=C)CC(C)C)NC(=C)C1CC(C)(F)C1
InChIInChI=1S/C24H39FN2/c1-9-11-12-21(10-2)23(13-14-27(8)19(5)15-18(3)4)26-20(6)22-16-24(7,25)17-22/h9-12,18,22-23,26H,1,5-6,13-17H2,2-4,7-8H3/b12-11-,21-10+
InChIKeyDAGWNFWFFFWUBV-LHYQYHESSA-N
XLogP6.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(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
5-N-cyclopropyl-5-N-[(E)-2-[(E)-2-fluoro-3-methylidenepent-1-enyl]dec-2-enyl]-4-methylhex-5-ene-1,5-diamine
CID 126583214
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
5-fluoro-3-[1-[3-[(E)-2-methylhex-3-en-3-yl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-1-yl]ethyl]-1,2-dihydropyridine
CID 130389473
8-N-[(3E,5E)-6-[[(2Z,4Z)-2-cyclobutylhexa-2,4-dien-3-yl]-ethylamino]-3-ethenyl-2-methylidenehepta-3,5-dienyl]-8-N-ethenyl-4-fluoro-1-N,4-dimethylnon-8-ene-1,8-diamine
CID 155274676
1-[3-(1-aminoethenyl)-2-ethylcyclohepta-1,3,6-trien-1-yl]-N-(3-fluoropropyl)propan-2-amine
CID 166750191
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
3-ethyl-2-[[[(5Z,7Z)-8-fluoro-6,7-dimethylocta-5,7-dien-3-yl]amino]methyl]-N-prop-1-en-2-ylcyclopenta-1,3-dien-1-amine
CID 169956088
(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine
CID 170359714
(5Z)-4-[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]-7-N-[(3Z)-6-fluorohexa-1,3-dien-2-yl]-1-N,5-dimethyl-6-prop-1-en-2-ylocta-5,7-diene-1,7-diamine
CID 173958548

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine?
The IUPAC name of (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine (CID 165397845) is (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine.
What is the SMILES notation for (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine?
The canonical SMILES for (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine is C=C/C=C\C(=C/C)C(CCN(C)C(=C)CC(C)C)NC(=C)C1CC(C)(F)C1.
What is the InChIKey of (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine?
The InChIKey is DAGWNFWFFFWUBV-LHYQYHESSA-N. The full InChI is InChI=1S/C24H39FN2/c1-9-11-12-21(10-2)23(13-14-27(8)19(5)15-18(3)4)26-20(6)22-16-24(7,25)17-22/h9-12,18,22-23,26H,1,5-6,13-17H2,2-4,7-8H3/b12-11-,21-10+.
What are the key properties of (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine?
(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine has a molecular weight of 374.59 g/mol, XLogP of 6.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine is sourced from PubChem (CID 165397845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).