(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine

C10H18N4 — CID 145468380

IUPAC(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
SMILESC=C(N)/C=N\C(=C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9(11)8-12-10(2)14-6-4-13(3)5-7-14/h8H,1-2,4-7,11H2,3H3/b12-8-
InChIKeyUKKWDGLNIVTISX-WQLSENKSSA-N
MW194.28 g/mol
LogP0.25
Rot. Bonds3

About (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine

(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine (PubChem CID 145468380) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine.

Molecular Properties

Compound Name(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
PubChem CID145468380
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
SMILESC=C(N)/C=N\C(=C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9(11)8-12-10(2)14-6-4-13(3)5-7-14/h8H,1-2,4-7,11H2,3H3/b12-8-
InChIKeyUKKWDGLNIVTISX-WQLSENKSSA-N
XLogP0.25
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane
CID 177053447
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
N'-methanimidoyl-4-methylpiperazine-1-carboximidamide
CID 90056098
(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
CID 155721811
N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide
CID 172938497
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
CID 123691769
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine?
The IUPAC name of (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine (CID 145468380) is (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine.
What is the SMILES notation for (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine?
The canonical SMILES for (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine is C=C(N)/C=N\C(=C)N1CCN(C)CC1.
What is the InChIKey of (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine?
The InChIKey is UKKWDGLNIVTISX-WQLSENKSSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(11)8-12-10(2)14-6-4-13(3)5-7-14/h8H,1-2,4-7,11H2,3H3/b12-8-.
What are the key properties of (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine?
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine has a molecular weight of 194.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine is sourced from PubChem (CID 145468380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).