(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine

C13H23N5 — CID 129237854

IUPAC(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine
SMILESC=CN1/C(=C/C=C(\C)NC)C(=C)N(C(C)N)C1N
InChIInChI=1S/C13H23N5/c1-6-17-12(8-7-9(2)16-5)10(3)18(11(4)14)13(17)15/h6-8,11,13,16H,1,3,14-15H2,2,4-5H3/b9-7+,12-8+
InChIKeyVNEIQCMYNLNXHZ-BRVZEXMBSA-N
MW249.36 g/mol
LogP0.82
Rot. Bonds4

About (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine

(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine (PubChem CID 129237854) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine.

Molecular Properties

Compound Name(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine
PubChem CID129237854
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine
SMILESC=CN1/C(=C/C=C(\C)NC)C(=C)N(C(C)N)C1N
InChIInChI=1S/C13H23N5/c1-6-17-12(8-7-9(2)16-5)10(3)18(11(4)14)13(17)15/h6-8,11,13,16H,1,3,14-15H2,2,4-5H3/b9-7+,12-8+
InChIKeyVNEIQCMYNLNXHZ-BRVZEXMBSA-N
XLogP0.82
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine?
The IUPAC name of (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine (CID 129237854) is (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine.
What is the SMILES notation for (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine?
The canonical SMILES for (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine is C=CN1/C(=C/C=C(\C)NC)C(=C)N(C(C)N)C1N.
What is the InChIKey of (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine?
The InChIKey is VNEIQCMYNLNXHZ-BRVZEXMBSA-N. The full InChI is InChI=1S/C13H23N5/c1-6-17-12(8-7-9(2)16-5)10(3)18(11(4)14)13(17)15/h6-8,11,13,16H,1,3,14-15H2,2,4-5H3/b9-7+,12-8+.
What are the key properties of (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine?
(4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-(1-aminoethyl)-3-ethenyl-4-[(E)-3-(methylamino)but-2-enylidene]-5-methylideneimidazolidin-2-amine is sourced from PubChem (CID 129237854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).