N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine

C10H23N3O2 — CID 83008942

IUPACN-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine
SMILESCOC(OC)C(C)NN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2/c1-9(10(14-3)15-4)11-13-7-5-12(2)6-8-13/h9-11H,5-8H2,1-4H3
InChIKeyDYBXYIKYHHYJEJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.25
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine

N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine (PubChem CID 83008942) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine
PubChem CID83008942
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine
SMILESCOC(OC)C(C)NN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2/c1-9(10(14-3)15-4)11-13-7-5-12(2)6-8-13/h9-11H,5-8H2,1-4H3
InChIKeyDYBXYIKYHHYJEJ-UHFFFAOYSA-N
XLogP-0.25
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.25
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 N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine (CID 83008942) is N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine is COC(OC)C(C)NN1CCN(C)CC1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine?
The InChIKey is DYBXYIKYHHYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(10(14-3)15-4)11-13-7-5-12(2)6-8-13/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine?
N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine has a molecular weight of 217.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83008942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).