1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

C14H31N3O — CID 114228568

IUPAC1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(CN1CCN(C)CC1C)C(C)(C)OC
InChIInChI=1S/C14H31N3O/c1-7-15-13(14(3,4)18-6)11-17-9-8-16(5)10-12(17)2/h12-13,15H,7-11H2,1-6H3
InChIKeySRAJSHCJZNGORM-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds6

About 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 114228568) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
PubChem CID114228568
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(CN1CCN(C)CC1C)C(C)(C)OC
InChIInChI=1S/C14H31N3O/c1-7-15-13(14(3,4)18-6)11-17-9-8-16(5)10-12(17)2/h12-13,15H,7-11H2,1-6H3
InChIKeySRAJSHCJZNGORM-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (CID 114228568) is 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is CCNC(CN1CCN(C)CC1C)C(C)(C)OC.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is SRAJSHCJZNGORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-15-13(14(3,4)18-6)11-17-9-8-16(5)10-12(17)2/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 114228568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).