1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol

C13H28N2O2 — CID 111916407

IUPAC1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCCCCCN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-3-4-5-6-14(2)11-13(16)12-15-7-9-17-10-8-15/h13,16H,3-12H2,1-2H3
InChIKeyUAMLLTRRVHYQFG-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.80
Rot. Bonds8

About 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916407) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916407
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCCCCCN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-3-4-5-6-14(2)11-13(16)12-15-7-9-17-10-8-15/h13,16H,3-12H2,1-2H3
InChIKeyUAMLLTRRVHYQFG-UHFFFAOYSA-N
XLogP0.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333
1-morpholin-4-ylheptan-2-ol
CID 15312312
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-[bis[6-(2-heptylundecoxy)hexyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 170028992
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 111916407) is 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol is CCCCCN(C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is UAMLLTRRVHYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-4-5-6-14(2)11-13(16)12-15-7-9-17-10-8-15/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).