N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine

C13H26N2O — CID 83007448

IUPACN-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine
SMILESCCC1(C)CC(NN2CCCCC2)CCO1
InChIInChI=1S/C13H26N2O/c1-3-13(2)11-12(7-10-16-13)14-15-8-5-4-6-9-15/h12,14H,3-11H2,1-2H3
InChIKeyIMUDLMWZDTUNSN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.32
Rot. Bonds3

About N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine

N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine (PubChem CID 83007448) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine
PubChem CID83007448
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine
SMILESCCC1(C)CC(NN2CCCCC2)CCO1
InChIInChI=1S/C13H26N2O/c1-3-13(2)11-12(7-10-16-13)14-15-8-5-4-6-9-15/h12,14H,3-11H2,1-2H3
InChIKeyIMUDLMWZDTUNSN-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine?
The IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine (CID 83007448) is N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine.
What is the SMILES notation for N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine?
The canonical SMILES for N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine is CCC1(C)CC(NN2CCCCC2)CCO1.
What is the InChIKey of N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine?
The InChIKey is IMUDLMWZDTUNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-13(2)11-12(7-10-16-13)14-15-8-5-4-6-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine?
N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine has a molecular weight of 226.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyloxan-4-yl)piperidin-1-amine is sourced from PubChem (CID 83007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).