2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine

C13H29N3O — CID 103033026

IUPAC2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine
SMILESCOC(C)(C)CCN1CCN(C(C)CN)CC1
InChIInChI=1S/C13H29N3O/c1-12(11-14)16-9-7-15(8-10-16)6-5-13(2,3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyUMILQMVPGLIMIE-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds6

About 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine

2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine (PubChem CID 103033026) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine
PubChem CID103033026
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine
SMILESCOC(C)(C)CCN1CCN(C(C)CN)CC1
InChIInChI=1S/C13H29N3O/c1-12(11-14)16-9-7-15(8-10-16)6-5-13(2,3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyUMILQMVPGLIMIE-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine (CID 103033026) is 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine is COC(C)(C)CCN1CCN(C(C)CN)CC1.
What is the InChIKey of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine?
The InChIKey is UMILQMVPGLIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(11-14)16-9-7-15(8-10-16)6-5-13(2,3)17-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine?
2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 103033026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).