3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

C10H23N3O — CID 62534542

IUPAC3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(C)CC1
InChIInChI=1S/C10H23N3O/c1-10(8-11,9-14-3)13-6-4-12(2)5-7-13/h4-9,11H2,1-3H3
InChIKeyAFEMSTWDZGLAOG-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.40
Rot. Bonds4

About 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 62534542) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID62534542
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(C)CC1
InChIInChI=1S/C10H23N3O/c1-10(8-11,9-14-3)13-6-4-12(2)5-7-13/h4-9,11H2,1-3H3
InChIKeyAFEMSTWDZGLAOG-UHFFFAOYSA-N
XLogP-0.40
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 62534542) is 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is COCC(C)(CN)N1CCN(C)CC1.
What is the InChIKey of 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is AFEMSTWDZGLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-10(8-11,9-14-3)13-6-4-12(2)5-7-13/h4-9,11H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 201.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62534542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).