1-prop-1-en-2-ylpiperazin-2-imine

C7H13N3 — CID 123148505

IUPAC1-prop-1-en-2-ylpiperazin-2-imine
SMILES[H]/N=C1\CNCCN1C(=C)C
InChIInChI=1S/C7H13N3/c1-6(2)10-4-3-9-5-7(10)8/h8-9H,1,3-5H2,2H3/b8-7+
InChIKeyKMUADIDPMGGNOC-BQYQJAHWSA-N
MW139.20 g/mol
LogP0.40
Rot. Bonds1

About 1-prop-1-en-2-ylpiperazin-2-imine

1-prop-1-en-2-ylpiperazin-2-imine (PubChem CID 123148505) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpiperazin-2-imine.

Molecular Properties

Compound Name1-prop-1-en-2-ylpiperazin-2-imine
PubChem CID123148505
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-prop-1-en-2-ylpiperazin-2-imine
SMILES[H]/N=C1\CNCCN1C(=C)C
InChIInChI=1S/C7H13N3/c1-6(2)10-4-3-9-5-7(10)8/h8-9H,1,3-5H2,2H3/b8-7+
InChIKeyKMUADIDPMGGNOC-BQYQJAHWSA-N
XLogP0.40
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyrazine
CID 91509600
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
CID 153629257
1-(2-Methylidenepiperazin-1-yl)butan-1-imine
CID 176715674

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpiperazin-2-imine?
The IUPAC name of 1-prop-1-en-2-ylpiperazin-2-imine (CID 123148505) is 1-prop-1-en-2-ylpiperazin-2-imine.
What is the SMILES notation for 1-prop-1-en-2-ylpiperazin-2-imine?
The canonical SMILES for 1-prop-1-en-2-ylpiperazin-2-imine is [H]/N=C1\CNCCN1C(=C)C.
What is the InChIKey of 1-prop-1-en-2-ylpiperazin-2-imine?
The InChIKey is KMUADIDPMGGNOC-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-4-3-9-5-7(10)8/h8-9H,1,3-5H2,2H3/b8-7+.
What are the key properties of 1-prop-1-en-2-ylpiperazin-2-imine?
1-prop-1-en-2-ylpiperazin-2-imine has a molecular weight of 139.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpiperazin-2-imine is sourced from PubChem (CID 123148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).