(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine

C11H22N4 — CID 70503604

IUPAC(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine
SMILESC/C=C(\N)CN1CCN(C/C(N)=C/C)C1
InChIInChI=1S/C11H22N4/c1-3-10(12)7-14-5-6-15(9-14)8-11(13)4-2/h3-4H,5-9,12-13H2,1-2H3/b10-3-,11-4-
InChIKeyTYSRNLQNEIJHLL-NPHMRBADSA-N
MW210.32 g/mol
LogP0.29
Rot. Bonds4

About (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine

(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine (PubChem CID 70503604) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine
PubChem CID70503604
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine
SMILESC/C=C(\N)CN1CCN(C/C(N)=C/C)C1
InChIInChI=1S/C11H22N4/c1-3-10(12)7-14-5-6-15(9-14)8-11(13)4-2/h3-4H,5-9,12-13H2,1-2H3/b10-3-,11-4-
InChIKeyTYSRNLQNEIJHLL-NPHMRBADSA-N
XLogP0.29
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine?
The IUPAC name of (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine (CID 70503604) is (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine.
What is the SMILES notation for (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine?
The canonical SMILES for (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine is C/C=C(\N)CN1CCN(C/C(N)=C/C)C1.
What is the InChIKey of (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine?
The InChIKey is TYSRNLQNEIJHLL-NPHMRBADSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-10(12)7-14-5-6-15(9-14)8-11(13)4-2/h3-4H,5-9,12-13H2,1-2H3/b10-3-,11-4-.
What are the key properties of (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine?
(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine has a molecular weight of 210.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine is sourced from PubChem (CID 70503604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).