(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine

C9H18N4 — CID 142094873

IUPAC(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILES[H]/N=C(\C=C/NC)N1CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-4-3-9(10)13-7-5-12(2)6-8-13/h3-4,10-11H,5-8H2,1-2H3/b4-3-,10-9+
InChIKeyTZHOVLSOHDZINS-PWGWRZEZSA-N
MW182.27 g/mol
LogP-0.06
Rot. Bonds2

About (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine

(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine (PubChem CID 142094873) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
PubChem CID142094873
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILES[H]/N=C(\C=C/NC)N1CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-4-3-9(10)13-7-5-12(2)6-8-13/h3-4,10-11H,5-8H2,1-2H3/b4-3-,10-9+
InChIKeyTZHOVLSOHDZINS-PWGWRZEZSA-N
XLogP-0.06
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
3-Imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
CID 118136489
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
(Z)-3-imino-N-methyl-3-piperidin-1-ylprop-1-en-1-amine
CID 136439665
(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
CID 137215416
4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
CID 142094849
ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
CID 142610454
N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143430211
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
2-[4-[(E)-C-ethenyl-N-(1-fluoroethenyl)carbonimidoyl]piperazin-1-yl]ethanamine;methane
CID 144288884

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine (CID 142094873) is (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine is [H]/N=C(\C=C/NC)N1CCN(C)CC1.
What is the InChIKey of (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The InChIKey is TZHOVLSOHDZINS-PWGWRZEZSA-N. The full InChI is InChI=1S/C9H18N4/c1-11-4-3-9(10)13-7-5-12(2)6-8-13/h3-4,10-11H,5-8H2,1-2H3/b4-3-,10-9+.
What are the key properties of (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine has a molecular weight of 182.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 142094873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).