2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide

C9H21N3O2 — CID 60902161

IUPAC2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
SMILESCN(C)CC(O)CNCC(=O)N(C)C
InChIInChI=1S/C9H21N3O2/c1-11(2)7-8(13)5-10-6-9(14)12(3)4/h8,10,13H,5-7H2,1-4H3
InChIKeyXSSNZXGYKCQGCV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-1.41
Rot. Bonds6

About 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide

2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide (PubChem CID 60902161) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
PubChem CID60902161
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
SMILESCN(C)CC(O)CNCC(=O)N(C)C
InChIInChI=1S/C9H21N3O2/c1-11(2)7-8(13)5-10-6-9(14)12(3)4/h8,10,13H,5-7H2,1-4H3
InChIKeyXSSNZXGYKCQGCV-UHFFFAOYSA-N
XLogP-1.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
CID 60901605
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-N,N-dimethylacetamide
CID 60901800
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60910441
N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]acetamide
CID 60909095
N,N-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905460
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499
1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
CID 64974910
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
N-ethyl-2-[(2-hydroxy-4-methylpentyl)amino]-N-methylacetamide
CID 107152551

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide (CID 60902161) is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide is CN(C)CC(O)CNCC(=O)N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The InChIKey is XSSNZXGYKCQGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-11(2)7-8(13)5-10-6-9(14)12(3)4/h8,10,13H,5-7H2,1-4H3.
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide has a molecular weight of 203.29 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60902161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).