2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide

C12H27N3O — CID 107446461

IUPAC2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCNC(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(10-11(16)14(5)6)9-8-13-12(2,3)4/h13H,7-10H2,1-6H3
InChIKeyDSVUHTJZJYYAFY-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide

2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 107446461) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
PubChem CID107446461
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCNC(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(10-11(16)14(5)6)9-8-13-12(2,3)4/h13H,7-10H2,1-6H3
InChIKeyDSVUHTJZJYYAFY-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
CID 79621524
2-[bis(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60686826
2-[2-(tert-butylamino)ethyl-methylamino]acetamide
CID 107446449
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
CID 62031688
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549
butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
CID 150956577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide (CID 107446461) is 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide is CCN(CCNC(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is DSVUHTJZJYYAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-15(10-11(16)14(5)6)9-8-13-12(2,3)4/h13H,7-10H2,1-6H3.
What are the key properties of 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide?
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107446461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).