2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol

C13H28N2O2 — CID 112689933

IUPAC2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
SMILESCC(C)CN1CCOC(CN(C)C(C)CO)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)7-15-5-6-17-13(9-15)8-14(4)12(3)10-16/h11-13,16H,5-10H2,1-4H3
InChIKeyBWOUOVWFCGKPPK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.66
Rot. Bonds6

About 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol

2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol (PubChem CID 112689933) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
PubChem CID112689933
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
SMILESCC(C)CN1CCOC(CN(C)C(C)CO)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)7-15-5-6-17-13(9-15)8-14(4)12(3)10-16/h11-13,16H,5-10H2,1-4H3
InChIKeyBWOUOVWFCGKPPK-UHFFFAOYSA-N
XLogP0.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
1-methoxy-3-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-2-ol
CID 62014967
3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid
CID 62852789
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-N-propylpiperidin-4-amine
CID 60805473
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol (CID 112689933) is 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol is CC(C)CN1CCOC(CN(C)C(C)CO)C1.
What is the InChIKey of 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol?
The InChIKey is BWOUOVWFCGKPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)7-15-5-6-17-13(9-15)8-14(4)12(3)10-16/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol?
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 112689933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).