N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine

C13H26N2O — CID 83007435

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine
SMILESCCOC1CC(NN2CCCCC2)C1(C)C
InChIInChI=1S/C13H26N2O/c1-4-16-12-10-11(13(12,2)3)14-15-8-6-5-7-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyFMCAGMXJOVKFFJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.18
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine (PubChem CID 83007435) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine
PubChem CID83007435
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine
SMILESCCOC1CC(NN2CCCCC2)C1(C)C
InChIInChI=1S/C13H26N2O/c1-4-16-12-10-11(13(12,2)3)14-15-8-6-5-7-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyFMCAGMXJOVKFFJ-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine (CID 83007435) is N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine is CCOC1CC(NN2CCCCC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine?
The InChIKey is FMCAGMXJOVKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-16-12-10-11(13(12,2)3)14-15-8-6-5-7-9-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine has a molecular weight of 226.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidin-1-amine is sourced from PubChem (CID 83007435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).