3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine

C7H15N5 — CID 118136489

IUPAC3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
SMILES[H]/N=C(\C=C(N)N)N1CCNCC1
InChIInChI=1S/C7H15N5/c8-6(9)5-7(10)12-3-1-11-2-4-12/h5,10-11H,1-4,8-9H2/b10-7+
InChIKeyXAVMEJKYLWFPTD-JXMROGBWSA-N
MW169.23 g/mol
LogP-1.37
Rot. Bonds1

About 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine

3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine (PubChem CID 118136489) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
PubChem CID118136489
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
SMILES[H]/N=C(\C=C(N)N)N1CCNCC1
InChIInChI=1S/C7H15N5/c8-6(9)5-7(10)12-3-1-11-2-4-12/h5,10-11H,1-4,8-9H2/b10-7+
InChIKeyXAVMEJKYLWFPTD-JXMROGBWSA-N
XLogP-1.37
TPSA91.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine?
The IUPAC name of 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine (CID 118136489) is 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine.
What is the SMILES notation for 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine?
The canonical SMILES for 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine is [H]/N=C(\C=C(N)N)N1CCNCC1.
What is the InChIKey of 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine?
The InChIKey is XAVMEJKYLWFPTD-JXMROGBWSA-N. The full InChI is InChI=1S/C7H15N5/c8-6(9)5-7(10)12-3-1-11-2-4-12/h5,10-11H,1-4,8-9H2/b10-7+.
What are the key properties of 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine?
3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine has a molecular weight of 169.23 g/mol, XLogP of -1.37, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-piperazin-1-ylprop-1-ene-1,1-diamine is sourced from PubChem (CID 118136489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).