2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine

C12H25NO — CID 80683609

IUPAC2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCCC(CC)C(N)C1(C)CCCCO1
InChIInChI=1S/C12H25NO/c1-4-10(5-2)11(13)12(3)8-6-7-9-14-12/h10-11H,4-9,13H2,1-3H3
InChIKeyWGUZMPILAJRKER-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine

2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine (PubChem CID 80683609) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine
PubChem CID80683609
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCCC(CC)C(N)C1(C)CCCCO1
InChIInChI=1S/C12H25NO/c1-4-10(5-2)11(13)12(3)8-6-7-9-14-12/h10-11H,4-9,13H2,1-3H3
InChIKeyWGUZMPILAJRKER-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine (CID 80683609) is 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine is CCC(CC)C(N)C1(C)CCCCO1.
What is the InChIKey of 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine?
The InChIKey is WGUZMPILAJRKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(5-2)11(13)12(3)8-6-7-9-14-12/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine?
2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyloxan-2-yl)butan-1-amine is sourced from PubChem (CID 80683609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).