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

C26H49N3 — CID 171501045

IUPAC(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine;ethane
SMILESC=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C.CC.CC.CC
InChIInChI=1S/C20H31N3.3C2H6/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2;3*1-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22);3*1-2H3/b10-6-,17-12+,18-13+;;;
InChIKeyCKPMULGINUGQRG-RXSQOKIUSA-N
MW403.70 g/mol
LogP6.54
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;ethane

(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine;ethane (PubChem CID 171501045) has the molecular formula C26H49N3 and a molecular weight of 403.70 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;ethane.

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;ethane
PubChem CID171501045
Molecular FormulaC26H49N3
Molecular Weight403.70 g/mol
Exact Mass403.39
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;ethane
SMILESC=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C.CC.CC.CC
InChIInChI=1S/C20H31N3.3C2H6/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2;3*1-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22);3*1-2H3/b10-6-,17-12+,18-13+;;;
InChIKeyCKPMULGINUGQRG-RXSQOKIUSA-N
XLogP6.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.70
LogP ≤ 56.54
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;ethane with MolForge

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Related Compounds

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
(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
(3E,5Z)-N-butyl-7-(5-ethenylimino-7-methylimino-1,2-dihydroazepin-2-yl)-N-ethylocta-3,5,7-trien-4-amine
CID 137257099
N'-[4-[(Z)-3-amino-1-(methylamino)prop-1-enyl]cyclohexa-1,5-dien-1-yl]-4-(cyclopropylmethylamino)-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 139398359
(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;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
ethane;N'-ethenyl-N-methyl-N-(2-methylprop-2-enyl)ethanimidamide;(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine
CID 143347279
(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide
CID 144559472

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;ethane?
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;ethane (CID 171501045) is (5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine;ethane.
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;ethane?
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;ethane is C=C/C=c1/c(N(CCC)CCCC)cc(NC)n/c1=C/C=C\C.CC.CC.CC.
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;ethane?
The InChIKey is CKPMULGINUGQRG-RXSQOKIUSA-N. The full InChI is InChI=1S/C20H31N3.3C2H6/c1-6-10-13-18-17(12-8-3)19(16-20(21-5)22-18)23(14-9-4)15-11-7-2;3*1-2/h6,8,10,12-13,16H,3,7,9,11,14-15H2,1-2,4-5H3,(H,21,22);3*1-2H3/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;ethane?
(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine;ethane has a molecular weight of 403.70 g/mol, XLogP of 6.54, 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;ethane is sourced from PubChem (CID 171501045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).