3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine

C8H17N5 — CID 144622377

IUPAC3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine
SMILES[H]/N=C(\C=C(N)N)N1CCN(C)CC1
InChIInChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h6,11H,2-5,9-10H2,1H3/b11-8+
InChIKeyJGEUAXAIYAUXOS-DHZHZOJOSA-N
MW183.26 g/mol
LogP-1.03
Rot. Bonds1

About 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine

3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine (PubChem CID 144622377) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine
PubChem CID144622377
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine
SMILES[H]/N=C(\C=C(N)N)N1CCN(C)CC1
InChIInChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h6,11H,2-5,9-10H2,1H3/b11-8+
InChIKeyJGEUAXAIYAUXOS-DHZHZOJOSA-N
XLogP-1.03
TPSA82.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-Hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 3068564
(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
3-Imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
CID 118136489
4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
CID 142094849
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 142094873
N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide
CID 163807518
3-amino-N'-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]but-2-enimidamide
CID 173492987
1-N'-ethyl-3-imino-1-N-methyl-3-piperazin-1-ylprop-1-ene-1,1-diamine
CID 173628352
1-[[(Z)-1-(4-methylpiperazin-1-yl)but-2-enylidene]amino]ethenamine
CID 173928560
(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
CID 176666314

Frequently Asked Questions

What is the IUPAC name of 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine?
The IUPAC name of 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine (CID 144622377) is 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine.
What is the SMILES notation for 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine?
The canonical SMILES for 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine is [H]/N=C(\C=C(N)N)N1CCN(C)CC1.
What is the InChIKey of 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine?
The InChIKey is JGEUAXAIYAUXOS-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h6,11H,2-5,9-10H2,1H3/b11-8+.
What are the key properties of 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine?
3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine has a molecular weight of 183.26 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 144622377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).