2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide

C11H25N3O — CID 107443358

IUPAC2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide
SMILESCC(C)C(CN)CN(C)CC(=O)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)10(6-12)7-14(5)8-11(15)13(3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyMRAIMQLDJRHJOU-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.24
Rot. Bonds6

About 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide

2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 107443358) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide
PubChem CID107443358
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide
SMILESCC(C)C(CN)CN(C)CC(=O)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)10(6-12)7-14(5)8-11(15)13(3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyMRAIMQLDJRHJOU-UHFFFAOYSA-N
XLogP0.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
CID 65441858
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
methyl 3-(aminomethyl)-4-methylpentanoate
CID 66096191
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethylbutanamide
CID 80542443
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide (CID 107443358) is 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide is CC(C)C(CN)CN(C)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is MRAIMQLDJRHJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)10(6-12)7-14(5)8-11(15)13(3)4/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 215.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107443358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).