N-ethyl-2,6-dimethyloxan-3-amine

C9H19NO — CID 22969198

IUPACN-ethyl-2,6-dimethyloxan-3-amine
SMILESCCNC1CCC(C)OC1C
InChIInChI=1S/C9H19NO/c1-4-10-9-6-5-7(2)11-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyYJNZSGSEHQJFPG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds2

About N-ethyl-2,6-dimethyloxan-3-amine

N-ethyl-2,6-dimethyloxan-3-amine (PubChem CID 22969198) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2,6-dimethyloxan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,6-dimethyloxan-3-amine
PubChem CID22969198
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2,6-dimethyloxan-3-amine
SMILESCCNC1CCC(C)OC1C
InChIInChI=1S/C9H19NO/c1-4-10-9-6-5-7(2)11-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyYJNZSGSEHQJFPG-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,6-dimethyloxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethyloxan-3-amine?
The IUPAC name of N-ethyl-2,6-dimethyloxan-3-amine (CID 22969198) is N-ethyl-2,6-dimethyloxan-3-amine.
What is the SMILES notation for N-ethyl-2,6-dimethyloxan-3-amine?
The canonical SMILES for N-ethyl-2,6-dimethyloxan-3-amine is CCNC1CCC(C)OC1C.
What is the InChIKey of N-ethyl-2,6-dimethyloxan-3-amine?
The InChIKey is YJNZSGSEHQJFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-9-6-5-7(2)11-8(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2,6-dimethyloxan-3-amine?
N-ethyl-2,6-dimethyloxan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethyloxan-3-amine is sourced from PubChem (CID 22969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).