1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

C17H36N2O2 — CID 110905093

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC1CN(CC(O)CNC(C)(C)CC(C)(C)C)CC(C)O1
InChIInChI=1S/C17H36N2O2/c1-13-9-19(10-14(2)21-13)11-15(20)8-18-17(6,7)12-16(3,4)5/h13-15,18,20H,8-12H2,1-7H3
InChIKeyZMBWJXMNVKGEGF-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.26
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 110905093) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID110905093
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC1CN(CC(O)CNC(C)(C)CC(C)(C)C)CC(C)O1
InChIInChI=1S/C17H36N2O2/c1-13-9-19(10-14(2)21-13)11-15(20)8-18-17(6,7)12-16(3,4)5/h13-15,18,20H,8-12H2,1-7H3
InChIKeyZMBWJXMNVKGEGF-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
1-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278
(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98845810
(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-methylpent-4-yn-2-yloxy)propan-2-ol
CID 100811217
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-methylpent-4-yn-2-yloxy)propan-2-ol
CID 51680092
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
CID 98758880

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 110905093) is 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CC1CN(CC(O)CNC(C)(C)CC(C)(C)C)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is ZMBWJXMNVKGEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-13-9-19(10-14(2)21-13)11-15(20)8-18-17(6,7)12-16(3,4)5/h13-15,18,20H,8-12H2,1-7H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 110905093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).