N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide

C10H22N2O — CID 87110437

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCC(C)N(C)CCN(C)C(C)=O
InChIInChI=1S/C10H22N2O/c1-6-9(2)11(4)7-8-12(5)10(3)13/h9H,6-8H2,1-5H3
InChIKeyWCBQOXYYMWZCGW-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide (PubChem CID 87110437) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
PubChem CID87110437
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCC(C)N(C)CCN(C)C(C)=O
InChIInChI=1S/C10H22N2O/c1-6-9(2)11(4)7-8-12(5)10(3)13/h9H,6-8H2,1-5H3
InChIKeyWCBQOXYYMWZCGW-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 156837141
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842
1-[butan-2-yl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62625289
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
N-butyl-N-methylacetamide;ethane
CID 142088805
N-methyl-N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 21336479
2-[butan-2-yl(methyl)amino]ethanesulfonic acid
CID 170225415
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide (CID 87110437) is N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide is CCC(C)N(C)CCN(C)C(C)=O.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide?
The InChIKey is WCBQOXYYMWZCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(2)11(4)7-8-12(5)10(3)13/h9H,6-8H2,1-5H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide has a molecular weight of 186.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide is sourced from PubChem (CID 87110437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).