2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

C14H27N3O — CID 81168595

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2(CN)CCC2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2)11-17(8-7-16(13)3)12(18)9-14(10-15)5-4-6-14/h4-11,15H2,1-3H3
InChIKeyWPFQEZZSUIWSIZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 81168595) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID81168595
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2(CN)CCC2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2)11-17(8-7-16(13)3)12(18)9-14(10-15)5-4-6-14/h4-11,15H2,1-3H3
InChIKeyWPFQEZZSUIWSIZ-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 81168595) is 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2(CN)CCC2)CC1(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is WPFQEZZSUIWSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)11-17(8-7-16(13)3)12(18)9-14(10-15)5-4-6-14/h4-11,15H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 81168595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).