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

C15H32N2O2 — CID 62257952

IUPACN-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCNCC1(CN(CC)C(C)COC)CCOC1
InChIInChI=1S/C15H32N2O2/c1-5-8-16-11-15(7-9-19-13-15)12-17(6-2)14(3)10-18-4/h14,16H,5-13H2,1-4H3
InChIKeyXCHQAIWNPRHRIH-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds10

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

N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62257952) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62257952
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCNCC1(CN(CC)C(C)COC)CCOC1
InChIInChI=1S/C15H32N2O2/c1-5-8-16-11-15(7-9-19-13-15)12-17(6-2)14(3)10-18-4/h14,16H,5-13H2,1-4H3
InChIKeyXCHQAIWNPRHRIH-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
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-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N-ethyl-1-methoxy-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 62390798
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719201
N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390997
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (CID 62257952) is N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is CCCNCC1(CN(CC)C(C)COC)CCOC1.
What is the InChIKey of N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is XCHQAIWNPRHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-8-16-11-15(7-9-19-13-15)12-17(6-2)14(3)10-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62257952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).