N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine

C13H27NO2 — CID 116521510

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)12(9-15-5)14-8-11-6-7-13(3,4)16-11/h10-12,14H,6-9H2,1-5H3
InChIKeyALDUEXPZDRFNFS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds6

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 116521510) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID116521510
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCC1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)12(9-15-5)14-8-11-6-7-13(3,4)16-11/h10-12,14H,6-9H2,1-5H3
InChIKeyALDUEXPZDRFNFS-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 116521510) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCC1CCC(C)(C)O1)C(C)C.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is ALDUEXPZDRFNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)12(9-15-5)14-8-11-6-7-13(3,4)16-11/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116521510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).