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

C16H31NO2 — CID 114535177

IUPAC2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCC2CCCO2)CCOC1C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-12-16(8-10-18-14(16)3)7-6-15-5-4-9-19-15/h13-15,17H,4-12H2,1-3H3
InChIKeyOCADKZXZKLPJHR-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds7

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

2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114535177) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID114535177
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCC2CCCO2)CCOC1C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-12-16(8-10-18-14(16)3)7-6-15-5-4-9-19-15/h13-15,17H,4-12H2,1-3H3
InChIKeyOCADKZXZKLPJHR-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535061
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (CID 114535177) is 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCC2CCCO2)CCOC1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is OCADKZXZKLPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)11-17-12-16(8-10-18-14(16)3)7-6-15-5-4-9-19-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114535177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).