2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol

C13H28N2O2 — CID 62258450

IUPAC2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
SMILESCCN(CCO)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C13H28N2O2/c1-4-15(6-7-16)10-13(5-8-17-11-13)9-14-12(2)3/h12,14,16H,4-11H2,1-3H3
InChIKeyQNJWIWQXGMKNEG-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds8

About 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol

2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol (PubChem CID 62258450) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
PubChem CID62258450
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
SMILESCCN(CCO)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C13H28N2O2/c1-4-15(6-7-16)10-13(5-8-17-11-13)9-14-12(2)3/h12,14,16H,4-11H2,1-3H3
InChIKeyQNJWIWQXGMKNEG-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol with MolForge

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Related Compounds

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol (CID 62258450) is 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol is CCN(CCO)CC1(CNC(C)C)CCOC1.
What is the InChIKey of 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol?
The InChIKey is QNJWIWQXGMKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(6-7-16)10-13(5-8-17-11-13)9-14-12(2)3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol?
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 62258450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).