2-[2-(tert-butylamino)ethyl-methylamino]acetamide

C9H21N3O — CID 107446449

IUPAC2-[2-(tert-butylamino)ethyl-methylamino]acetamide
SMILESCN(CCNC(C)(C)C)CC(N)=O
InChIInChI=1S/C9H21N3O/c1-9(2,3)11-5-6-12(4)7-8(10)13/h11H,5-7H2,1-4H3,(H2,10,13)
InChIKeyQRHMSNUKDLSTPJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds5

About 2-[2-(tert-butylamino)ethyl-methylamino]acetamide

2-[2-(tert-butylamino)ethyl-methylamino]acetamide (PubChem CID 107446449) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl-methylamino]acetamide
PubChem CID107446449
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[2-(tert-butylamino)ethyl-methylamino]acetamide
SMILESCN(CCNC(C)(C)C)CC(N)=O
InChIInChI=1S/C9H21N3O/c1-9(2,3)11-5-6-12(4)7-8(10)13/h11H,5-7H2,1-4H3,(H2,10,13)
InChIKeyQRHMSNUKDLSTPJ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 23154890
2-[(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)-methylamino]acetamide
CID 65247130
2-[butyl(methyl)amino]acetamide
CID 22371777
2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
2-[methyl(tridecyl)amino]acetamide
CID 175737609
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine
CID 82928824
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-(tert-butylamino)ethyl-methylamino]acetamide (CID 107446449) is 2-[2-(tert-butylamino)ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl-methylamino]acetamide is CN(CCNC(C)(C)C)CC(N)=O.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl-methylamino]acetamide?
The InChIKey is QRHMSNUKDLSTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,3)11-5-6-12(4)7-8(10)13/h11H,5-7H2,1-4H3,(H2,10,13).
What are the key properties of 2-[2-(tert-butylamino)ethyl-methylamino]acetamide?
2-[2-(tert-butylamino)ethyl-methylamino]acetamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl-methylamino]acetamide is sourced from PubChem (CID 107446449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).