4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol

C13H28N2O2 — CID 113434725

IUPAC4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCCN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)12(4-9-16)14-5-6-15-7-10-17-11-8-15/h12,14,16H,4-11H2,1-3H3
InChIKeyFEIIIIDIHNNPQT-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds6

About 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol

4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol (PubChem CID 113434725) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
PubChem CID113434725
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCCN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)12(4-9-16)14-5-6-15-7-10-17-11-8-15/h12,14,16H,4-11H2,1-3H3
InChIKeyFEIIIIDIHNNPQT-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

3-methyl-2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 79250355
2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 43393515
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
methyl 3-(2-morpholin-4-ylethylamino)butanoate
CID 43536761
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
CID 144711905
1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 113494494
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol (CID 113434725) is 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol is CC(C)(C)C(CCO)NCCN1CCOCC1.
What is the InChIKey of 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol?
The InChIKey is FEIIIIDIHNNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,3)12(4-9-16)14-5-6-15-7-10-17-11-8-15/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol?
4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol is sourced from PubChem (CID 113434725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).