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

C11H25N3O2 — CID 66180232

IUPAC3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O2/c1-11(9-12,10(15-3)16-4)14-7-5-13(2)6-8-14/h10H,5-9,12H2,1-4H3
InChIKeyQKVSAJWNRDGABL-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.43
Rot. Bonds5

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

3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 66180232) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID66180232
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O2/c1-11(9-12,10(15-3)16-4)14-7-5-13(2)6-8-14/h10H,5-9,12H2,1-4H3
InChIKeyQKVSAJWNRDGABL-UHFFFAOYSA-N
XLogP-0.43
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 66180232) is 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is COC(OC)C(C)(CN)N1CCN(C)CC1.
What is the InChIKey of 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is QKVSAJWNRDGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(9-12,10(15-3)16-4)14-7-5-13(2)6-8-14/h10H,5-9,12H2,1-4H3.
What are the key properties of 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 66180232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).