1-piperazin-1-ylprop-2-ene-1,1-diamine

C7H16N4 — CID 66900154

IUPAC1-piperazin-1-ylprop-2-ene-1,1-diamine
SMILESC=CC(N)(N)N1CCNCC1
InChIInChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2
InChIKeyMGEFOGOYEXDSBD-UHFFFAOYSA-N
MW156.23 g/mol
LogP-1.35
Rot. Bonds2

About 1-piperazin-1-ylprop-2-ene-1,1-diamine

1-piperazin-1-ylprop-2-ene-1,1-diamine (PubChem CID 66900154) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-piperazin-1-ylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-piperazin-1-ylprop-2-ene-1,1-diamine
PubChem CID66900154
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-piperazin-1-ylprop-2-ene-1,1-diamine
SMILESC=CC(N)(N)N1CCNCC1
InChIInChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2
InChIKeyMGEFOGOYEXDSBD-UHFFFAOYSA-N
XLogP-1.35
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Allylpiperazine
CID 806422
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 171323299
N-(2-(Piperazin-1-yl)ethyl)prop-2-en-1-amine
CID 15074367
1,1-Bis(prop-2-enyl)piperazin-1-ium
CID 20077709
1-Methanidyl-4-prop-2-enylpiperazin-1-ium
CID 20723124
1-Piperazin-1-ylprop-2-en-1-amine
CID 66614368
Azane;1-prop-2-enylpiperazine
CID 66614370
1-Prop-2-enylpiperazin-2-amine
CID 66775228
1-Prop-2-enylpiperazine-2,2-diamine
CID 66900155
3-Piperazin-1-ylprop-1-ene-1,1-diamine
CID 66900156
N,N-dimethyl-1-piperazin-1-ylprop-2-en-1-amine
CID 66955208

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The IUPAC name of 1-piperazin-1-ylprop-2-ene-1,1-diamine (CID 66900154) is 1-piperazin-1-ylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-piperazin-1-ylprop-2-ene-1,1-diamine is C=CC(N)(N)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The InChIKey is MGEFOGOYEXDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2.
What are the key properties of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
1-piperazin-1-ylprop-2-ene-1,1-diamine has a molecular weight of 156.23 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylprop-2-ene-1,1-diamine is sourced from PubChem (CID 66900154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).