(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane

C10H20N4 — CID 176971990

IUPAC(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane
SMILESCC.CC(N)C/C=c1/nc[nH]/c1=C/N
InChIInChI=1S/C8H14N4.C2H6/c1-6(10)2-3-7-8(4-9)12-5-11-7;1-2/h3-6H,2,9-10H2,1H3,(H,11,12);1-2H3/b7-3+,8-4+;
InChIKeyXMYZEEBFZYAODB-UQXJJJGTSA-N
MW196.30 g/mol
LogP-0.35
Rot. Bonds2

About (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane

(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane (PubChem CID 176971990) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane.

Molecular Properties

Compound Name(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane
PubChem CID176971990
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane
SMILESCC.CC(N)C/C=c1/nc[nH]/c1=C/N
InChIInChI=1S/C8H14N4.C2H6/c1-6(10)2-3-7-8(4-9)12-5-11-7;1-2/h3-6H,2,9-10H2,1H3,(H,11,12);1-2H3/b7-3+,8-4+;
InChIKeyXMYZEEBFZYAODB-UQXJJJGTSA-N
XLogP-0.35
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
(Z,3Z)-4,4-dimethyl-3-(4-methyl-1,4-dihydroimidazol-5-ylidene)pent-1-en-1-amine
CID 126612625
(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine
CID 130278885
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617
4-methyl-6-[1-(methylamino)ethyl]-1H-pyrimidin-4-amine
CID 135136164
(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
CID 137427544
(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
CID 137427602
5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole;ethane
CID 143686131
(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane
CID 143954268
ethane;(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 144131987
5,6-dihydro-1H-benzimidazole;ethane
CID 145267144
(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole
CID 155004973

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane?
The IUPAC name of (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane (CID 176971990) is (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane.
What is the SMILES notation for (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane?
The canonical SMILES for (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane is CC.CC(N)C/C=c1/nc[nH]/c1=C/N.
What is the InChIKey of (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane?
The InChIKey is XMYZEEBFZYAODB-UQXJJJGTSA-N. The full InChI is InChI=1S/C8H14N4.C2H6/c1-6(10)2-3-7-8(4-9)12-5-11-7;1-2/h3-6H,2,9-10H2,1H3,(H,11,12);1-2H3/b7-3+,8-4+;.
What are the key properties of (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane?
(4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane has a molecular weight of 196.30 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(5E)-5-(aminomethylidene)-1H-imidazol-4-ylidene]butan-2-amine;ethane is sourced from PubChem (CID 176971990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).