1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine

C13H26N2 — CID 80999261

IUPAC1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2/c1-13(2)6-8-15(9-7-13)12-5-4-11(12)10-14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyIMPKBCOMUYPJEB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine

1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 80999261) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine
PubChem CID80999261
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2/c1-13(2)6-8-15(9-7-13)12-5-4-11(12)10-14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyIMPKBCOMUYPJEB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine (CID 80999261) is 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1N1CCC(C)(C)CC1.
What is the InChIKey of 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is IMPKBCOMUYPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)6-8-15(9-7-13)12-5-4-11(12)10-14-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 80999261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).