N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

C15H31NO3 — CID 103412751

IUPACN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCOCCOCCCC1(CNC(C)C)CCOC1C
InChIInChI=1S/C15H31NO3/c1-13(2)16-12-15(7-9-19-14(15)3)6-5-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyJBEZIGCITNVRDG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.22
Rot. Bonds10

About N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 103412751) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
PubChem CID103412751
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCOCCOCCCC1(CNC(C)C)CCOC1C
InChIInChI=1S/C15H31NO3/c1-13(2)16-12-15(7-9-19-14(15)3)6-5-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyJBEZIGCITNVRDG-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
CID 103412747
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706225
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (CID 103412751) is N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is COCCOCCCC1(CNC(C)C)CCOC1C.
What is the InChIKey of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is JBEZIGCITNVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(2)16-12-15(7-9-19-14(15)3)6-5-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 103412751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).