N-ethyl-2,3,4-trimethyloxan-3-amine

C10H21NO — CID 123559408

IUPACN-ethyl-2,3,4-trimethyloxan-3-amine
SMILESCCNC1(C)C(C)CCOC1C
InChIInChI=1S/C10H21NO/c1-5-11-10(4)8(2)6-7-12-9(10)3/h8-9,11H,5-7H2,1-4H3
InChIKeyWSJXQZMWYXCUDC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About N-ethyl-2,3,4-trimethyloxan-3-amine

N-ethyl-2,3,4-trimethyloxan-3-amine (PubChem CID 123559408) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-2,3,4-trimethyloxan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,3,4-trimethyloxan-3-amine
PubChem CID123559408
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-2,3,4-trimethyloxan-3-amine
SMILESCCNC1(C)C(C)CCOC1C
InChIInChI=1S/C10H21NO/c1-5-11-10(4)8(2)6-7-12-9(10)3/h8-9,11H,5-7H2,1-4H3
InChIKeyWSJXQZMWYXCUDC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4-trimethyloxan-3-amine?
The IUPAC name of N-ethyl-2,3,4-trimethyloxan-3-amine (CID 123559408) is N-ethyl-2,3,4-trimethyloxan-3-amine.
What is the SMILES notation for N-ethyl-2,3,4-trimethyloxan-3-amine?
The canonical SMILES for N-ethyl-2,3,4-trimethyloxan-3-amine is CCNC1(C)C(C)CCOC1C.
What is the InChIKey of N-ethyl-2,3,4-trimethyloxan-3-amine?
The InChIKey is WSJXQZMWYXCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-11-10(4)8(2)6-7-12-9(10)3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2,3,4-trimethyloxan-3-amine?
N-ethyl-2,3,4-trimethyloxan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4-trimethyloxan-3-amine is sourced from PubChem (CID 123559408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).