(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine

C11H17N3 — CID 134299445

IUPAC(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine
SMILESC=c1[nH]c(C)n/c1=C/C=C(\C)N(C)C
InChIInChI=1S/C11H17N3/c1-8(14(4)5)6-7-11-9(2)12-10(3)13-11/h6-7H,2H2,1,3-5H3,(H,12,13)/b8-6+,11-7+
InChIKeyLWUILMHTOPMCJO-JMFBPXTISA-N
MW191.28 g/mol
LogP0.37
Rot. Bonds2

About (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine

(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine (PubChem CID 134299445) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Name(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine
PubChem CID134299445
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine
SMILESC=c1[nH]c(C)n/c1=C/C=C(\C)N(C)C
InChIInChI=1S/C11H17N3/c1-8(14(4)5)6-7-11-9(2)12-10(3)13-11/h6-7H,2H2,1,3-5H3,(H,12,13)/b8-6+,11-7+
InChIKeyLWUILMHTOPMCJO-JMFBPXTISA-N
XLogP0.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine?
The IUPAC name of (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine (CID 134299445) is (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine.
What is the SMILES notation for (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine?
The canonical SMILES for (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine is C=c1[nH]c(C)n/c1=C/C=C(\C)N(C)C.
What is the InChIKey of (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine?
The InChIKey is LWUILMHTOPMCJO-JMFBPXTISA-N. The full InChI is InChI=1S/C11H17N3/c1-8(14(4)5)6-7-11-9(2)12-10(3)13-11/h6-7H,2H2,1,3-5H3,(H,12,13)/b8-6+,11-7+.
What are the key properties of (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine?
(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine has a molecular weight of 191.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine is sourced from PubChem (CID 134299445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).