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

C16H31NO2 — CID 65164937

IUPAC2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCC2CCCO2)CCOC1
InChIInChI=1S/C16H31NO2/c1-14(2)11-17-12-16(8-10-18-13-16)7-3-5-15-6-4-9-19-15/h14-15,17H,3-13H2,1-2H3
InChIKeyMEOMNPLCSXMXHB-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds8

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

2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 65164937) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID65164937
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCC2CCCO2)CCOC1
InChIInChI=1S/C16H31NO2/c1-14(2)11-17-12-16(8-10-18-13-16)7-3-5-15-6-4-9-19-15/h14-15,17H,3-13H2,1-2H3
InChIKeyMEOMNPLCSXMXHB-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
N-(2-methylpropyl)-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65166550
N-[[3-(3-ethylsulfanylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 114113336
2-methyl-N-[[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methyl]propan-1-amine
CID 65161458
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine (CID 65164937) is 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCCC2CCCO2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is MEOMNPLCSXMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2)11-17-12-16(8-10-18-13-16)7-3-5-15-6-4-9-19-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 65164937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).