N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane

C12H29N3O — CID 170647127

IUPACN,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
SMILESCC.CC(C)N(C)CCNCC(=O)N(C)C
InChIInChI=1S/C10H23N3O.C2H6/c1-9(2)13(5)7-6-11-8-10(14)12(3)4;1-2/h9,11H,6-8H2,1-5H3;1-2H3
InChIKeyGTJYYXWFXMWNRA-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.03
Rot. Bonds6

About N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane

N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane (PubChem CID 170647127) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
PubChem CID170647127
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC NameN,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
SMILESCC.CC(C)N(C)CCNCC(=O)N(C)C
InChIInChI=1S/C10H23N3O.C2H6/c1-9(2)13(5)7-6-11-8-10(14)12(3)4;1-2/h9,11H,6-8H2,1-5H3;1-2H3
InChIKeyGTJYYXWFXMWNRA-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
N,N-dimethyl-2-[2-(2-methylprop-2-enoxy)ethylamino]acetamide
CID 114467467

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane?
The IUPAC name of N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane (CID 170647127) is N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane.
What is the SMILES notation for N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane?
The canonical SMILES for N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane is CC.CC(C)N(C)CCNCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane?
The InChIKey is GTJYYXWFXMWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O.C2H6/c1-9(2)13(5)7-6-11-8-10(14)12(3)4;1-2/h9,11H,6-8H2,1-5H3;1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane?
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane has a molecular weight of 231.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane is sourced from PubChem (CID 170647127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).