1-(4-methylpiperazin-1-yl)prop-2-en-1-amine

C8H17N3 — CID 155441984

IUPAC1-(4-methylpiperazin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3,8H,1,4-7,9H2,2H3
InChIKeyLKDUDCPTHXRFKM-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.30
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine

1-(4-methylpiperazin-1-yl)prop-2-en-1-amine (PubChem CID 155441984) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)prop-2-en-1-amine
PubChem CID155441984
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-(4-methylpiperazin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3,8H,1,4-7,9H2,2H3
InChIKeyLKDUDCPTHXRFKM-UHFFFAOYSA-N
XLogP-0.30
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine (CID 155441984) is 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine is C=CC(N)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The InChIKey is LKDUDCPTHXRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
1-(4-methylpiperazin-1-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 155441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).