N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine

C14H21N3 — CID 123218601

IUPACN-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
SMILESC=C(C=c1c(=CC)ncn1C)N(C)C(C)=CC
InChIInChI=1S/C14H21N3/c1-7-11(3)17(6)12(4)9-14-13(8-2)15-10-16(14)5/h7-10H,4H2,1-3,5-6H3
InChIKeyXXZSQGCPTJAKJU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.37
Rot. Bonds3

About N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine

N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine (PubChem CID 123218601) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
PubChem CID123218601
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
SMILESC=C(C=c1c(=CC)ncn1C)N(C)C(C)=CC
InChIInChI=1S/C14H21N3/c1-7-11(3)17(6)12(4)9-14-13(8-2)15-10-16(14)5/h7-10H,4H2,1-3,5-6H3
InChIKeyXXZSQGCPTJAKJU-UHFFFAOYSA-N
XLogP1.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-5-(1-fluoroprop-2-enylidene)-4-methylideneimidazole
CID 124012782
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
CID 134239602
2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
CID 138535224
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
CID 23175353
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
1-But-2-en-2-yl-4,5-dihydroimidazole
CID 67796429
5-Ethylidene-2-methyl-4-methylidene-1-propan-2-ylimidazole
CID 90894415
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
CID 126495002
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine?
The IUPAC name of N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine (CID 123218601) is N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine.
What is the SMILES notation for N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine?
The canonical SMILES for N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine is C=C(C=c1c(=CC)ncn1C)N(C)C(C)=CC.
What is the InChIKey of N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine?
The InChIKey is XXZSQGCPTJAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-7-11(3)17(6)12(4)9-14-13(8-2)15-10-16(14)5/h7-10H,4H2,1-3,5-6H3.
What are the key properties of N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine?
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine is sourced from PubChem (CID 123218601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).