N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

C13H27NO2 — CID 114535154

IUPACN-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C13H27NO2/c1-5-15-10-13(6-7-16-12(13)4)9-14-8-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyAERCWQFWFFASCM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds7

About N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114535154) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114535154
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C13H27NO2/c1-5-15-10-13(6-7-16-12(13)4)9-14-8-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyAERCWQFWFFASCM-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethoxymethyl)-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534229
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535061
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 106930991
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
N-[[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535116
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172
N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706225

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 114535154) is N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is CCOCC1(CNCC(C)C)CCOC1C.
What is the InChIKey of N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AERCWQFWFFASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-15-10-13(6-7-16-12(13)4)9-14-8-11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114535154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).