3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine

C12H26N2O — CID 79471121

IUPAC3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine
SMILESCCC(C)CN(CC)CC1(N)CCOC1
InChIInChI=1S/C12H26N2O/c1-4-11(3)8-14(5-2)9-12(13)6-7-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyRDBPNIBNRVDYJU-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine

3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine (PubChem CID 79471121) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine
PubChem CID79471121
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine
SMILESCCC(C)CN(CC)CC1(N)CCOC1
InChIInChI=1S/C12H26N2O/c1-4-11(3)8-14(5-2)9-12(13)6-7-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyRDBPNIBNRVDYJU-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine (CID 79471121) is 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine is CCC(C)CN(CC)CC1(N)CCOC1.
What is the InChIKey of 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine?
The InChIKey is RDBPNIBNRVDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(3)8-14(5-2)9-12(13)6-7-15-10-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine?
3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylbutyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).