2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine

C8H13N3 — CID 134340597

IUPAC2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine
SMILESC=c1[nH]c(CCN)n/c1=C/C
InChIInChI=1S/C8H13N3/c1-3-7-6(2)10-8(11-7)4-5-9/h3H,2,4-5,9H2,1H3,(H,10,11)/b7-3+
InChIKeySEVGCZSWORFCKW-XVNBXDOJSA-N
MW151.21 g/mol
LogP-0.88
Rot. Bonds2

About 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine

2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine (PubChem CID 134340597) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine
PubChem CID134340597
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine
SMILESC=c1[nH]c(CCN)n/c1=C/C
InChIInChI=1S/C8H13N3/c1-3-7-6(2)10-8(11-7)4-5-9/h3H,2,4-5,9H2,1H3,(H,10,11)/b7-3+
InChIKeySEVGCZSWORFCKW-XVNBXDOJSA-N
XLogP-0.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine (CID 134340597) is 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine is C=c1[nH]c(CCN)n/c1=C/C.
What is the InChIKey of 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine?
The InChIKey is SEVGCZSWORFCKW-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7-6(2)10-8(11-7)4-5-9/h3H,2,4-5,9H2,1H3,(H,10,11)/b7-3+.
What are the key properties of 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine?
2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine has a molecular weight of 151.21 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 134340597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).