N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C13H27NO2 — CID 116503548

IUPACN-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)C1OCCC1CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(9-15-5)12-11(6-7-16-12)8-14-13(2,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyHJSYMUDBNGSMLP-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds5

About N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116503548) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID116503548
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)C1OCCC1CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(9-15-5)12-11(6-7-16-12)8-14-13(2,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyHJSYMUDBNGSMLP-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 116503548) is N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is COCC(C)C1OCCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HJSYMUDBNGSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(9-15-5)12-11(6-7-16-12)8-14-13(2,3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116503548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).