ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine

C15H29N3 — CID 171089858

IUPACethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine
SMILESC/C=c1/[nH]c(C(C)C)n/c1=C(/NC)C(C)C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-10-12(11(14-6)8(2)3)16-13(15-10)9(4)5;1-2/h7-9,14H,1-6H3,(H,15,16);1-2H3/b10-7+,12-11+;
InChIKeyVGPYCVLDHSHACX-ZLFXCOFXSA-N
MW251.42 g/mol
LogP2.34
Rot. Bonds3

About ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine

ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine (PubChem CID 171089858) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine
PubChem CID171089858
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine
SMILESC/C=c1/[nH]c(C(C)C)n/c1=C(/NC)C(C)C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-10-12(11(14-6)8(2)3)16-13(15-10)9(4)5;1-2/h7-9,14H,1-6H3,(H,15,16);1-2H3/b10-7+,12-11+;
InChIKeyVGPYCVLDHSHACX-ZLFXCOFXSA-N
XLogP2.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7a-Methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine
CID 118563450
2-propan-2-yl-5,6-dihydro-1H-benzimidazole
CID 129018981
[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]methanamine
CID 134340779
ethane;2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790726
2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790727
(4E,5E)-2-methyl-5-(3-methylbut-2-enylidene)-4-propylidene-1H-imidazole
CID 141790736
[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
CID 142302116
2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
CID 142302201
ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine
CID 143408131
ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole
CID 143453484
ethane;2-ethyl-5,6-dihydro-1H-benzimidazole
CID 144281312
ethane;(4E)-2-methyl-5-methylidene-4-(2-methylidenebutylidene)-1H-imidazole
CID 144461244

Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine?
The IUPAC name of ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine (CID 171089858) is ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine?
The canonical SMILES for ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine is C/C=c1/[nH]c(C(C)C)n/c1=C(/NC)C(C)C.CC.
What is the InChIKey of ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine?
The InChIKey is VGPYCVLDHSHACX-ZLFXCOFXSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-7-10-12(11(14-6)8(2)3)16-13(15-10)9(4)5;1-2/h7-9,14H,1-6H3,(H,15,16);1-2H3/b10-7+,12-11+;.
What are the key properties of ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine?
ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 171089858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).