2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C12H25N3 — CID 103068829

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCN(C)CC1
InChIInChI=1S/C12H25N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h11,13H,3,5-10H2,1-2,4H3
InChIKeyAPCLFLHTNXOPNA-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.79
Rot. Bonds5

About 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068829) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068829
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCN(C)CC1
InChIInChI=1S/C12H25N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h11,13H,3,5-10H2,1-2,4H3
InChIKeyAPCLFLHTNXOPNA-UHFFFAOYSA-N
XLogP0.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.79
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 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103068829) is 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCN(C)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is APCLFLHTNXOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h11,13H,3,5-10H2,1-2,4H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).