ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine

C11H19N3 — CID 153387794

IUPACethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine
SMILESC=C(C)/C=c1/nc(CN)[nH]c1=C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-6(2)4-8-7(3)11-9(5-10)12-8;1-2/h4H,1,3,5,10H2,2H3,(H,11,12);1-2H3/b8-4+;
InChIKeyAEHPJLFYQUAIOC-ZFXMFRGYSA-N
MW193.29 g/mol
LogP0.66
Rot. Bonds2

About ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine

ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine (PubChem CID 153387794) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Nameethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine
PubChem CID153387794
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine
SMILESC=C(C)/C=c1/nc(CN)[nH]c1=C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-6(2)4-8-7(3)11-9(5-10)12-8;1-2/h4H,1,3,5,10H2,2H3,(H,11,12);1-2H3/b8-4+;
InChIKeyAEHPJLFYQUAIOC-ZFXMFRGYSA-N
XLogP0.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
CID 89199717
[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine
CID 90263897
(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
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(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
CID 70224389
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
N-[1-(6-methyl-1,5-dihydrocycloocta[d]imidazol-2-yl)buta-1,3-dienyl]ethanimine
CID 90804757
2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
CID 91092395
N'-(4-ethylhexa-2,4-dien-3-yl)-2-(propan-2-ylamino)ethanimidamide
CID 123391777
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612
5,6-dihydro-1H-benzimidazol-2-ylmethanamine
CID 123625225

Frequently Asked Questions

What is the IUPAC name of ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine?
The IUPAC name of ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine (CID 153387794) is ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine is C=C(C)/C=c1/nc(CN)[nH]c1=C.CC.
What is the InChIKey of ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine?
The InChIKey is AEHPJLFYQUAIOC-ZFXMFRGYSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-6(2)4-8-7(3)11-9(5-10)12-8;1-2/h4H,1,3,5,10H2,2H3,(H,11,12);1-2H3/b8-4+;.
What are the key properties of ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine?
ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 153387794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).