1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine

C14H29N3 — CID 80999730

IUPAC1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-9-7-16(8-10-17)13-6-5-12(13)11-15-4/h12-13,15H,5-11H2,1-4H3
InChIKeyAZGMLEPGFBAYQT-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine

1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 80999730) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
PubChem CID80999730
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-9-7-16(8-10-17)13-6-5-12(13)11-15-4/h12-13,15H,5-11H2,1-4H3
InChIKeyAZGMLEPGFBAYQT-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine (CID 80999730) is 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is AZGMLEPGFBAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)17-9-7-16(8-10-17)13-6-5-12(13)11-15-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 80999730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).