3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine

C13H28N2O2 — CID 103060650

IUPAC3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)CCOCC
InChIInChI=1S/C13H28N2O2/c1-4-14-13-6-8-17-11-12(13)10-15(3)7-9-16-5-2/h12-14H,4-11H2,1-3H3
InChIKeyFMDDZTIZFVENGH-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine

3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine (PubChem CID 103060650) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
PubChem CID103060650
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)CCOCC
InChIInChI=1S/C13H28N2O2/c1-4-14-13-6-8-17-11-12(13)10-15(3)7-9-16-5-2/h12-14H,4-11H2,1-3H3
InChIKeyFMDDZTIZFVENGH-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
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

3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66259533
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
2-[2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243650
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine (CID 103060650) is 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1CN(C)CCOCC.
What is the InChIKey of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine?
The InChIKey is FMDDZTIZFVENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-14-13-6-8-17-11-12(13)10-15(3)7-9-16-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine?
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 103060650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).