1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine

C13H27N3 — CID 81170801

IUPAC1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
SMILESCC(C)(C)N1CCN(CC2(N)CCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2,3)16-9-7-15(8-10-16)11-13(14)5-4-6-13/h4-11,14H2,1-3H3
InChIKeyXYEBWGMCYXAQPA-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds2

About 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine

1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine (PubChem CID 81170801) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
PubChem CID81170801
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
SMILESCC(C)(C)N1CCN(CC2(N)CCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2,3)16-9-7-15(8-10-16)11-13(14)5-4-6-13/h4-11,14H2,1-3H3
InChIKeyXYEBWGMCYXAQPA-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine (CID 81170801) is 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine is CC(C)(C)N1CCN(CC2(N)CCC2)CC1.
What is the InChIKey of 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine?
The InChIKey is XYEBWGMCYXAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2,3)16-9-7-15(8-10-16)11-13(14)5-4-6-13/h4-11,14H2,1-3H3.
What are the key properties of 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine?
1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).