(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine

C20H31N3 — CID 171501046

IUPAC(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine
SMILESC=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C
InChIInChI=1S/C20H31N3/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22)/b10-6-,17-12+,18-13+
InChIKeyXVAFQRZTASFPCL-QCTVKJJPSA-N
MW313.49 g/mol
LogP3.46
Rot. Bonds9

About (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine

(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine (PubChem CID 171501046) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine
PubChem CID171501046
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine
SMILESC=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C
InChIInChI=1S/C20H31N3/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22)/b10-6-,17-12+,18-13+
InChIKeyXVAFQRZTASFPCL-QCTVKJJPSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N'-ethyl-N-methyl-N'-[(3E)-3-[(Z)-4,4,4-trifluoro-3-(methylamino)but-2-enylidene]-4H-pyridin-2-yl]propane-1,3-diamine
CID 143235798
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
CID 123483519
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
CID 134270356
(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 134558396
(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine
CID 139317025
(E)-N'-ethenyl-2-methyl-3-(methylamino)-N-[(3E,5E)-2,5,6,7-tetramethylocta-1,3,5,7-tetraen-3-yl]but-2-enimidamide
CID 139469997
ethane;(5E,6E)-4-N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-N-ethyl-6-ethylidene-5-prop-2-enylidene-2-N-propylpyrimidine-2,4-diamine;propane
CID 141966229
ethane;(5E,6E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 142814888
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-N-propan-2-yl-6H-cyclohepta[d]pyrimidin-4-amine;molecular hydrogen
CID 142924190
ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
CID 142947862

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine?
The IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine (CID 171501046) is (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine.
What is the SMILES notation for (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine?
The canonical SMILES for (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine is C=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C.
What is the InChIKey of (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine?
The InChIKey is XVAFQRZTASFPCL-QCTVKJJPSA-N. The full InChI is InChI=1S/C20H31N3/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22)/b10-6-,17-12+,18-13+.
What are the key properties of (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine?
(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine has a molecular weight of 313.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 171501046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).