N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine

C13H28N2O — CID 62262002

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC)C(C)C)CCOC1
InChIInChI=1S/C13H28N2O/c1-5-14-9-13(7-8-16-11-13)10-15(6-2)12(3)4/h12,14H,5-11H2,1-4H3
InChIKeyKBHYXZAPABATEX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62262002) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62262002
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC)C(C)C)CCOC1
InChIInChI=1S/C13H28N2O/c1-5-14-9-13(7-8-16-11-13)10-15(6-2)12(3)4/h12,14H,5-11H2,1-4H3
InChIKeyKBHYXZAPABATEX-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62257952
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62260391
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (CID 62262002) is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is CCNCC1(CN(CC)C(C)C)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is KBHYXZAPABATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-9-13(7-8-16-11-13)10-15(6-2)12(3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62262002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).