(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane

C32H50N2 — CID 142583749

IUPAC(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane
SMILESC=C(Nc1ccc(=C)/c(=C\C(=C/C)C2=CCC2)c1)C1=CC(CCCC)=NCC1C.CC.CCC.[H][H]
InChIInChI=1S/C27H34N2.C3H8.C2H6.H2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23;1-3-2;1-2;/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3;3H2,1-2H3;1-2H3;1H/b22-7+,24-15-;;;
InChIKeyHAWKZZDJPIXTKB-BJGOWWLRSA-N
MW462.77 g/mol
LogP8.37
Rot. Bonds8

About (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane

(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane (PubChem CID 142583749) has the molecular formula C32H50N2 and a molecular weight of 462.77 g/mol. Its IUPAC name is (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane.

Molecular Properties

Compound Name(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane
PubChem CID142583749
Molecular FormulaC32H50N2
Molecular Weight462.77 g/mol
Exact Mass462.40
IUPAC Name(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane
SMILESC=C(Nc1ccc(=C)/c(=C\C(=C/C)C2=CCC2)c1)C1=CC(CCCC)=NCC1C.CC.CCC.[H][H]
InChIInChI=1S/C27H34N2.C3H8.C2H6.H2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23;1-3-2;1-2;/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3;3H2,1-2H3;1-2H3;1H/b22-7+,24-15-;;;
InChIKeyHAWKZZDJPIXTKB-BJGOWWLRSA-N
XLogP8.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.77
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane with MolForge

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Related Compounds

4-ethyl-N-[(3E)-penta-1,3-dien-2-yl]-3-pentylaniline
CID 142562615
1-[4-(butylamino)-6-methyl-1,3-diazinan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 134297482
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
4-[1-[(2-butyl-1-methylidene-3,4-dihydroisoquinolin-6-yl)amino]ethenyl]benzonitrile
CID 142925265
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
2-butyl-3-methyl-1-[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexa-1,3-diene
CID 144613975

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane?
The IUPAC name of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane (CID 142583749) is (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane.
What is the SMILES notation for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane?
The canonical SMILES for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane is C=C(Nc1ccc(=C)/c(=C\C(=C/C)C2=CCC2)c1)C1=CC(CCCC)=NCC1C.CC.CCC.[H][H].
What is the InChIKey of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane?
The InChIKey is HAWKZZDJPIXTKB-BJGOWWLRSA-N. The full InChI is InChI=1S/C27H34N2.C3H8.C2H6.H2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23;1-3-2;1-2;/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3;3H2,1-2H3;1-2H3;1H/b22-7+,24-15-;;;.
What are the key properties of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane?
(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane has a molecular weight of 462.77 g/mol, XLogP of 8.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane is sourced from PubChem (CID 142583749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).