3-methylimino-3-piperazin-1-ylprop-1-en-1-amine

C8H16N4 — CID 173491318

IUPAC3-methylimino-3-piperazin-1-ylprop-1-en-1-amine
SMILESC/N=C(\C=CN)N1CCNCC1
InChIInChI=1S/C8H16N4/c1-10-8(2-3-9)12-6-4-11-5-7-12/h2-3,11H,4-7,9H2,1H3/b3-2?,10-8+
InChIKeyWECFJCUCJXSLGF-BYLHYJTCSA-N
MW168.24 g/mol
LogP-0.61
Rot. Bonds1

About 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine

3-methylimino-3-piperazin-1-ylprop-1-en-1-amine (PubChem CID 173491318) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-3-piperazin-1-ylprop-1-en-1-amine
PubChem CID173491318
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-methylimino-3-piperazin-1-ylprop-1-en-1-amine
SMILESC/N=C(\C=CN)N1CCNCC1
InChIInChI=1S/C8H16N4/c1-10-8(2-3-9)12-6-4-11-5-7-12/h2-3,11H,4-7,9H2,1H3/b3-2?,10-8+
InChIKeyWECFJCUCJXSLGF-BYLHYJTCSA-N
XLogP-0.61
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.61
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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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine?
The IUPAC name of 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine (CID 173491318) is 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine?
The canonical SMILES for 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine is C/N=C(\C=CN)N1CCNCC1.
What is the InChIKey of 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine?
The InChIKey is WECFJCUCJXSLGF-BYLHYJTCSA-N. The full InChI is InChI=1S/C8H16N4/c1-10-8(2-3-9)12-6-4-11-5-7-12/h2-3,11H,4-7,9H2,1H3/b3-2?,10-8+.
What are the key properties of 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine?
3-methylimino-3-piperazin-1-ylprop-1-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-3-piperazin-1-ylprop-1-en-1-amine is sourced from PubChem (CID 173491318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).