1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol

C13H23N3O — CID 103904295

IUPAC1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1ccccn1
InChIInChI=1S/C13H23N3O/c1-11(12-7-5-6-8-14-12)15-9-13(2,17)10-16(3)4/h5-8,11,15,17H,9-10H2,1-4H3
InChIKeyLDSJJVRCXJSUOJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.04
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 103904295) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
PubChem CID103904295
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1ccccn1
InChIInChI=1S/C13H23N3O/c1-11(12-7-5-6-8-14-12)15-9-13(2,17)10-16(3)4/h5-8,11,15,17H,9-10H2,1-4H3
InChIKeyLDSJJVRCXJSUOJ-UHFFFAOYSA-N
XLogP1.04
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
N-methyl-N-propan-2-yl-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396941

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol (CID 103904295) is 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol is CC(NCC(C)(O)CN(C)C)c1ccccn1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is LDSJJVRCXJSUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(12-7-5-6-8-14-12)15-9-13(2,17)10-16(3)4/h5-8,11,15,17H,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 103904295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).