but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline

C18H29N3 — CID 145019347

IUPACbut-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline
SMILESC/C=C\C(=C/C)c1ccc(NN)c(N)c1.CC.CC#CC
InChIInChI=1S/C12H17N3.C4H6.C2H6/c1-3-5-9(4-2)10-6-7-12(15-14)11(13)8-10;1-3-4-2;1-2/h3-8,15H,13-14H2,1-2H3;1-2H3;1-2H3/b5-3-,9-4+;;
InChIKeyKWGDBIAILFKNRW-ULOKQNOHSA-N
MW287.45 g/mol
LogP4.59
Rot. Bonds3

About but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline

but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline (PubChem CID 145019347) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline.

Molecular Properties

Compound Namebut-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline
PubChem CID145019347
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Namebut-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline
SMILESC/C=C\C(=C/C)c1ccc(NN)c(N)c1.CC.CC#CC
InChIInChI=1S/C12H17N3.C4H6.C2H6/c1-3-5-9(4-2)10-6-7-12(15-14)11(13)8-10;1-3-4-2;1-2/h3-8,15H,13-14H2,1-2H3;1-2H3;1-2H3/b5-3-,9-4+;;
InChIKeyKWGDBIAILFKNRW-ULOKQNOHSA-N
XLogP4.59
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-amino-4-hydrazinylbenzoate
CID 22411187
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol
CID 142835600
2-hydrazinyl-5-methylaniline
CID 89276855
3-amino-4-hydrazinylphenol
CID 119000444
ethane;2-hydrazinylbenzene-1,4-diamine
CID 142054755
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
2-hydrazinyl-5-methoxyaniline
CID 119013430
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
benzyl 3-amino-4-hydrazinylbenzoate
CID 67596357
4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline
CID 145407811

Frequently Asked Questions

What is the IUPAC name of but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline?
The IUPAC name of but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline (CID 145019347) is but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline.
What is the SMILES notation for but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline?
The canonical SMILES for but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline is C/C=C\C(=C/C)c1ccc(NN)c(N)c1.CC.CC#CC.
What is the InChIKey of but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline?
The InChIKey is KWGDBIAILFKNRW-ULOKQNOHSA-N. The full InChI is InChI=1S/C12H17N3.C4H6.C2H6/c1-3-5-9(4-2)10-6-7-12(15-14)11(13)8-10;1-3-4-2;1-2/h3-8,15H,13-14H2,1-2H3;1-2H3;1-2H3/b5-3-,9-4+;;.
What are the key properties of but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline?
but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline has a molecular weight of 287.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;5-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydrazinylaniline is sourced from PubChem (CID 145019347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).