N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine

C14H29NO2 — CID 107139090

IUPACN-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CCCOC1
InChIInChI=1S/C14H29NO2/c1-5-8-15-13(11-17-14(2,3)4)12-7-6-9-16-10-12/h12-13,15H,5-11H2,1-4H3
InChIKeyXMMZEOWDJLXXIF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds6

About N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 107139090) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID107139090
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CCCOC1
InChIInChI=1S/C14H29NO2/c1-5-8-15-13(11-17-14(2,3)4)12-7-6-9-16-10-12/h12-13,15H,5-11H2,1-4H3
InChIKeyXMMZEOWDJLXXIF-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
CID 107136389
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine (CID 107139090) is N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(COC(C)(C)C)C1CCCOC1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is XMMZEOWDJLXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-15-13(11-17-14(2,3)4)12-7-6-9-16-10-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107139090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).