2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine

C15H31NO — CID 114201269

IUPAC2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCOC1C(C)CC(C)C
InChIInChI=1S/C15H31NO/c1-11(2)8-13(5)15-14(6-7-17-15)10-16-9-12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyMDKYAFMYEJLQLZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114201269) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID114201269
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCOC1C(C)CC(C)C
InChIInChI=1S/C15H31NO/c1-11(2)8-13(5)15-14(6-7-17-15)10-16-9-12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyMDKYAFMYEJLQLZ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Tetrahydro-2-furanyl)piperidine
CID 55264246
3-(Oxolan-2-yl)pyrrolidine
CID 79493405
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
2-Oxa-6-azabicyclononane
CID 129872087
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900558
2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900559
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099
1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine
CID 103312043
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
4-Fluoro-4-[3-(oxolan-2-yl)propyl]azepane
CID 103983982
4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992625
4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine (CID 114201269) is 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCOC1C(C)CC(C)C.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is MDKYAFMYEJLQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)8-13(5)15-14(6-7-17-15)10-16-9-12(3)4/h11-16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114201269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).