N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine

C13H26N2 — CID 112716504

IUPACN,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine
SMILESCN(C)CCC1(C2CCNCC2)CCC1
InChIInChI=1S/C13H26N2/c1-15(2)11-8-13(6-3-7-13)12-4-9-14-10-5-12/h12,14H,3-11H2,1-2H3
InChIKeyYGQFSHMLGGVZPX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds4

About N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine

N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine (PubChem CID 112716504) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine
PubChem CID112716504
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine
SMILESCN(C)CCC1(C2CCNCC2)CCC1
InChIInChI=1S/C13H26N2/c1-15(2)11-8-13(6-3-7-13)12-4-9-14-10-5-12/h12,14H,3-11H2,1-2H3
InChIKeyYGQFSHMLGGVZPX-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine (CID 112716504) is N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine is CN(C)CCC1(C2CCNCC2)CCC1.
What is the InChIKey of N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine?
The InChIKey is YGQFSHMLGGVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-15(2)11-8-13(6-3-7-13)12-4-9-14-10-5-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine?
N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine is sourced from PubChem (CID 112716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).