(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine

C9H16N4 — CID 70259653

IUPAC(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
SMILESC=C(N=C/C=C\N)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8,10H2/b3-2-,12-4?
InChIKeySTRSJIKSXNYTQI-GHELVKAKSA-N
MW180.25 g/mol
LogP-0.09
Rot. Bonds3

About (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine

(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine (PubChem CID 70259653) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
PubChem CID70259653
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
SMILESC=C(N=C/C=C\N)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8,10H2/b3-2-,12-4?
InChIKeySTRSJIKSXNYTQI-GHELVKAKSA-N
XLogP-0.09
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
CID 156761510
1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine
CID 159476543
2-(1,3-Diazinan-2-yl)-1,2-dihydropyrimidine
CID 5232770
2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
2-(2H-pyrimidin-1-yl)ethanamine
CID 22639610
(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529661
1-piperazin-1-yl-2H-pyrimidine
CID 67727481
2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
CID 67787370
1,4,7,10,13-Pentazacyclohexadeca-13,15-diene
CID 72317546
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
1-piperazin-2-yl-2H-pyrimidine
CID 140095537

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine?
The IUPAC name of (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine (CID 70259653) is (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine is C=C(N=C/C=C\N)N1CCNCC1.
What is the InChIKey of (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine?
The InChIKey is STRSJIKSXNYTQI-GHELVKAKSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8,10H2/b3-2-,12-4?.
What are the key properties of (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine?
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine has a molecular weight of 180.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine is sourced from PubChem (CID 70259653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).