N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine

C13H28N2O2 — CID 55140311

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCC1(CN(C)CCCOC)CCOC1
InChIInChI=1S/C13H28N2O2/c1-4-14-10-13(6-9-17-12-13)11-15(2)7-5-8-16-3/h14H,4-12H2,1-3H3
InChIKeyCSKTZKOOPYNBHJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds9

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 55140311) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID55140311
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCC1(CN(C)CCCOC)CCOC1
InChIInChI=1S/C13H28N2O2/c1-4-14-10-13(6-9-17-12-13)11-15(2)7-5-8-16-3/h14H,4-12H2,1-3H3
InChIKeyCSKTZKOOPYNBHJ-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63007559
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 63009367
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-amine
CID 64893861
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
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
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine (CID 55140311) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine is CCNCC1(CN(C)CCCOC)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is CSKTZKOOPYNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-14-10-13(6-9-17-12-13)11-15(2)7-5-8-16-3/h14H,4-12H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 55140311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).