4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine

C12H26N2O3 — CID 66235507

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
SMILESCOCCCN(CCOC)CC1COCC1N
InChIInChI=1S/C12H26N2O3/c1-15-6-3-4-14(5-7-16-2)8-11-9-17-10-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyNBYTWCRTIHWNPB-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.05
Rot. Bonds9

About 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine (PubChem CID 66235507) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
PubChem CID66235507
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
SMILESCOCCCN(CCOC)CC1COCC1N
InChIInChI=1S/C12H26N2O3/c1-15-6-3-4-14(5-7-16-2)8-11-9-17-10-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyNBYTWCRTIHWNPB-UHFFFAOYSA-N
XLogP-0.05
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848637
2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentan-1-amine
CID 79565209
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 64893853
4-[(2-methoxyethylamino)methyl]oxolan-3-amine
CID 66236121
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
CID 115295426
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
CID 62260121
2-[(2-amino-5-ethylcyclohexyl)methyl-(2-methoxyethyl)amino]ethanol
CID 113468089

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine (CID 66235507) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine is COCCCN(CCOC)CC1COCC1N.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The InChIKey is NBYTWCRTIHWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-15-6-3-4-14(5-7-16-2)8-11-9-17-10-12(11)13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine has a molecular weight of 246.35 g/mol, XLogP of -0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).