N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine

C17H35NO2 — CID 105189250

IUPACN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO2/c1-9-10-18-14(12-19-15(2,3)4)13-11-16(5,6)20-17(13,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyAHKGLTWRZAVYAV-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.76
Rot. Bonds6

About N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 105189250) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID105189250
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO2/c1-9-10-18-14(12-19-15(2,3)4)13-11-16(5,6)20-17(13,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyAHKGLTWRZAVYAV-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114623279
2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 105053115
2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623534
N-[2-pyridin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114622871
2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114623082
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114623006
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
2-ethoxy-N-ethyl-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623537
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624231
N-[(4-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622827
2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623536
[2-ethoxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butyl]hydrazine
CID 105273857

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine (CID 105189250) is N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(COC(C)(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is AHKGLTWRZAVYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-9-10-18-14(12-19-15(2,3)4)13-11-16(5,6)20-17(13,7)8/h13-14,18H,9-12H2,1-8H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.76, 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-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105189250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).