2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol

C12H26N2O3 — CID 114399765

IUPAC2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCCN1CCOC(CNCC(C)(CO)CO)C1
InChIInChI=1S/C12H26N2O3/c1-3-14-4-5-17-11(7-14)6-13-8-12(2,9-15)10-16/h11,13,15-16H,3-10H2,1-2H3
InChIKeyYFCQSSKZLOKJPM-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.71
Rot. Bonds7

About 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 114399765) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID114399765
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCCN1CCOC(CNCC(C)(CO)CO)C1
InChIInChI=1S/C12H26N2O3/c1-3-14-4-5-17-11(7-14)6-13-8-12(2,9-15)10-16/h11,13,15-16H,3-10H2,1-2H3
InChIKeyYFCQSSKZLOKJPM-UHFFFAOYSA-N
XLogP-0.71
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171
2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
CID 114164317
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
3-ethyl-1-[(4-ethylmorpholin-2-yl)methylamino]pentan-2-ol
CID 106285209
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106128851
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol (CID 114399765) is 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol is CCN1CCOC(CNCC(C)(CO)CO)C1.
What is the InChIKey of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is YFCQSSKZLOKJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-3-14-4-5-17-11(7-14)6-13-8-12(2,9-15)10-16/h11,13,15-16H,3-10H2,1-2H3.
What are the key properties of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 246.35 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 114399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).