(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine

C30H47FN6 — CID 143567328

IUPAC(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine
SMILESC=C(CC(C)C)N1CCCC(N)C1.C=CC(F)/C=C\C(=C/C)\C(N=C)=C(C(/N)=C/C=N/C)\N1C=CCC1
InChIInChI=1S/C19H25FN4.C11H22N2/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24;1-9(2)7-10(3)13-6-4-5-11(12)8-13/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3;9,11H,3-8,12H2,1-2H3/b10-9-,15-5+,17-11-,19-18-,22-12+;
InChIKeyIOAPAYYFCUAMLP-CYSJKPCZSA-N
MW510.75 g/mol
LogP5.66
Rot. Bonds11

About (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine

(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine (PubChem CID 143567328) has the molecular formula C30H47FN6 and a molecular weight of 510.75 g/mol. Its IUPAC name is (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine
PubChem CID143567328
Molecular FormulaC30H47FN6
Molecular Weight510.75 g/mol
Exact Mass510.38
IUPAC Name(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine
SMILESC=C(CC(C)C)N1CCCC(N)C1.C=CC(F)/C=C\C(=C/C)\C(N=C)=C(C(/N)=C/C=N/C)\N1C=CCC1
InChIInChI=1S/C19H25FN4.C11H22N2/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24;1-9(2)7-10(3)13-6-4-5-11(12)8-13/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3;9,11H,3-8,12H2,1-2H3/b10-9-,15-5+,17-11-,19-18-,22-12+;
InChIKeyIOAPAYYFCUAMLP-CYSJKPCZSA-N
XLogP5.66
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.75
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine with MolForge

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Related Compounds

1-[3-Methyl-2-(prop-2-enylideneamino)cyclohepta-1,3,6-trien-1-yl]-5-(trifluoromethyl)piperidin-3-amine
CID 129276976
1-[(3Z,5Z)-2-methyl-3-(prop-2-enylideneamino)hepta-1,3,5-trien-4-yl]-5-(trifluoromethyl)piperidin-3-amine
CID 129276977
(3Z,5Z)-2-[(5E)-5-butylidene-3-(N-ethenyl-C-methylcarbonimidoyl)-2H-pyrrol-1-yl]-9-fluoro-5,8-dimethylnona-3,5-diene-3,6-diamine
CID 130390370
(Z)-1-[3-fluoro-3-(fluoromethyl)-2-methylpiperidin-1-yl]-4-methylidene-3-[(methylideneamino)methyl]-N-[2-[(Z)-3-phosphanylprop-1-enyl]iminoethyl]hex-2-en-2-amine
CID 146182585
[4-[3-(2,5-dimethylhex-2-en-3-ylamino)-5-fluoropiperidin-1-yl]-5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-yl]cyanamide
CID 170238749
3-[4-[3-[1-[2-[[(6Z)-6-fluoro-4-methyl-2-methylideneazocin-3-ylidene]methyl]-3,5-dimethyl-2,3-dihydro-1H-pyrrol-4-yl]ethenylamino]propyl]piperazin-1-yl]prop-1-en-2-amine
CID 173897377
1-[3-Methyl-2-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-yl]-5-(trifluoromethyl)piperidin-3-amine
CID 148559814
(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine
CID 137230007
(1Z,3E,5Z,8Z)-5-[(3Z,5E)-5-(aminomethylidene)-1,2,6,7-tetrahydroazocin-8-ylidene]-7,11-dimethyl-4-methylidene-3-[(Z)-2-methylpent-3-enylidene]-1-(2H-pyrrol-2-yl)dodeca-1,6,8-trien-1-amine
CID 169891342
(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
CID 142149416
2-N-ethenyl-3-N-[(2Z,4E)-1-methylimino-4-[(Z)-3-piperidin-4-ylprop-1-enyl]hepta-2,4-dien-3-yl]butane-2,3-diimine
CID 144637554
(2E)-1-N-methyl-4-N-[1-[(2E,3E)-2-(2-methyliminoethylidene)hepta-3,5,6-trienyl]piperidin-3-yl]penta-2,4-diene-1,4-diamine
CID 153633808

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine?
The IUPAC name of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine (CID 143567328) is (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine.
What is the SMILES notation for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine?
The canonical SMILES for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine is C=C(CC(C)C)N1CCCC(N)C1.C=CC(F)/C=C\C(=C/C)\C(N=C)=C(C(/N)=C/C=N/C)\N1C=CCC1.
What is the InChIKey of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine?
The InChIKey is IOAPAYYFCUAMLP-CYSJKPCZSA-N. The full InChI is InChI=1S/C19H25FN4.C11H22N2/c1-5-15(9-10-16(20)6-2)18(23-4)19(17(21)11-12-22-3)24-13-7-8-14-24;1-9(2)7-10(3)13-6-4-5-11(12)8-13/h5-7,9-13,16H,2,4,8,14,21H2,1,3H3;9,11H,3-8,12H2,1-2H3/b10-9-,15-5+,17-11-,19-18-,22-12+;.
What are the key properties of (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine?
(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine has a molecular weight of 510.75 g/mol, XLogP of 5.66, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine is sourced from PubChem (CID 143567328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).