6-ethyl-2-methyloxan-3-amine

C8H17NO — CID 90910349

IUPAC6-ethyl-2-methyloxan-3-amine
SMILESCCC1CCC(N)C(C)O1
InChIInChI=1S/C8H17NO/c1-3-7-4-5-8(9)6(2)10-7/h6-8H,3-5,9H2,1-2H3
InChIKeyGKESXGLGIMKELG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds1

About 6-ethyl-2-methyloxan-3-amine

6-ethyl-2-methyloxan-3-amine (PubChem CID 90910349) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-ethyl-2-methyloxan-3-amine.

Molecular Properties

Compound Name6-ethyl-2-methyloxan-3-amine
PubChem CID90910349
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-ethyl-2-methyloxan-3-amine
SMILESCCC1CCC(N)C(C)O1
InChIInChI=1S/C8H17NO/c1-3-7-4-5-8(9)6(2)10-7/h6-8H,3-5,9H2,1-2H3
InChIKeyGKESXGLGIMKELG-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methyloxolan-3-amine
CID 59712801
(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
(5R)-5-ethyloxolan-2-amine;methanol
CID 142962194
2-ethyl-5-(iodomethyl)oxolane
CID 130582736
(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
CID 55284490
(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten
CID 59834110
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
2-cyclopropyl-5-ethyloxolane
CID 170980381
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103135848
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol
CID 176998974
3-ethyl-2,6-dimethyloxane
CID 54145589

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyloxan-3-amine?
The IUPAC name of 6-ethyl-2-methyloxan-3-amine (CID 90910349) is 6-ethyl-2-methyloxan-3-amine.
What is the SMILES notation for 6-ethyl-2-methyloxan-3-amine?
The canonical SMILES for 6-ethyl-2-methyloxan-3-amine is CCC1CCC(N)C(C)O1.
What is the InChIKey of 6-ethyl-2-methyloxan-3-amine?
The InChIKey is GKESXGLGIMKELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7-4-5-8(9)6(2)10-7/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 6-ethyl-2-methyloxan-3-amine?
6-ethyl-2-methyloxan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyloxan-3-amine is sourced from PubChem (CID 90910349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).