(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane

C9H17N3 — CID 142927527

IUPAC(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane
SMILESC/C=c1/nc(N)[nH]/c1=C/C.CC
InChIInChI=1S/C7H11N3.C2H6/c1-3-5-6(4-2)10-7(8)9-5;1-2/h3-4H,1-2H3,(H3,8,9,10);1-2H3/b5-3+,6-4+;
InChIKeyKMRIWMZUHSYEAK-WEUBHIEESA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane

(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane (PubChem CID 142927527) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane
PubChem CID142927527
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane
SMILESC/C=c1/nc(N)[nH]/c1=C/C.CC
InChIInChI=1S/C7H11N3.C2H6/c1-3-5-6(4-2)10-7(8)9-5;1-2/h3-4H,1-2H3,(H3,8,9,10);1-2H3/b5-3+,6-4+;
InChIKeyKMRIWMZUHSYEAK-WEUBHIEESA-N
XLogP0.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine
CID 90836383
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
CID 126552115
4-methyl-6-methylidene-1H-pyrimidine-2,5-diamine
CID 126593505
2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]guanidine
CID 134533572
(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
CID 135170936
(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
CID 142401350
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
CID 142927503
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine
CID 143123504
(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane
CID 143316935
ethene;(5E)-5-ethylidene-1-methyl-4-methylideneimidazol-2-amine
CID 144010326
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-amine
CID 156233824
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
CID 169248178

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane (CID 142927527) is (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane is C/C=c1/nc(N)[nH]/c1=C/C.CC.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane?
The InChIKey is KMRIWMZUHSYEAK-WEUBHIEESA-N. The full InChI is InChI=1S/C7H11N3.C2H6/c1-3-5-6(4-2)10-7(8)9-5;1-2/h3-4H,1-2H3,(H3,8,9,10);1-2H3/b5-3+,6-4+;.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane?
(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane has a molecular weight of 167.26 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane is sourced from PubChem (CID 142927527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).