1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol

C13H28N2O2 — CID 111496505

IUPAC1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCN1CCOCC1)CC(C)(C)O
InChIInChI=1S/C13H28N2O2/c1-4-14(12-13(2,3)16)6-5-7-15-8-10-17-11-9-15/h16H,4-12H2,1-3H3
InChIKeyQSORXPATWVBUQZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.80
Rot. Bonds7

About 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol

1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 111496505) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
PubChem CID111496505
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCN1CCOCC1)CC(C)(C)O
InChIInChI=1S/C13H28N2O2/c1-4-14(12-13(2,3)16)6-5-7-15-8-10-17-11-9-15/h16H,4-12H2,1-3H3
InChIKeyQSORXPATWVBUQZ-UHFFFAOYSA-N
XLogP0.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-7-(morpholin-4-yl)hepta-3,5-diyn-2-ol
CID 665385
2-(2,2-Dimethylmorpholino)ethanol
CID 12950853
alpha,2,6-Trimethylmorpholin-4-ylethanol
CID 98999
2-(2,6-Dimethyl-4-morpholinyl)ethanol
CID 340704
2-Methyl-1-morpholinopropan-2-ol
CID 22273170
2-((2S,6R)-2,6-dimethylmorpholino)ethanol
CID 53215760
4-(Tert-butylperoxymethyl)morpholine
CID 10352485
morpholine, N-(3-(bis-2-hydroxypropyl)aminopropyl)-
CID 140835153
3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-
CID 869482
2,4,4,6-Tetramethylmorpholinium hydroxide
CID 142505316
N,N-Dimethyl-4-morpholinepropylamine
CID 11970535
4-Butyl-2,2-dimethylmorpholine
CID 13198125

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol (CID 111496505) is 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol is CCN(CCCN1CCOCC1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is QSORXPATWVBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-14(12-13(2,3)16)6-5-7-15-8-10-17-11-9-15/h16H,4-12H2,1-3H3.
What are the key properties of 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol?
1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111496505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).