N-(3-aminobutyl)-N-methylacetamide

C7H16N2O — CID 88939316

IUPACN-(3-aminobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)N
InChIInChI=1S/C7H16N2O/c1-6(8)4-5-9(3)7(2)10/h6H,4-5,8H2,1-3H3
InChIKeyZQQMIIFDQALAGE-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.20
Rot. Bonds3

About N-(3-aminobutyl)-N-methylacetamide

N-(3-aminobutyl)-N-methylacetamide (PubChem CID 88939316) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(3-aminobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-N-methylacetamide
PubChem CID88939316
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(3-aminobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)N
InChIInChI=1S/C7H16N2O/c1-6(8)4-5-9(3)7(2)10/h6H,4-5,8H2,1-3H3
InChIKeyZQQMIIFDQALAGE-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
N-methyl-N-[3-[1-(methylideneamino)ethylamino]butyl]acetamide
CID 118617292
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 156837141
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-N-methylacetamide?
The IUPAC name of N-(3-aminobutyl)-N-methylacetamide (CID 88939316) is N-(3-aminobutyl)-N-methylacetamide.
What is the SMILES notation for N-(3-aminobutyl)-N-methylacetamide?
The canonical SMILES for N-(3-aminobutyl)-N-methylacetamide is CC(=O)N(C)CCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-N-methylacetamide?
The InChIKey is ZQQMIIFDQALAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(8)4-5-9(3)7(2)10/h6H,4-5,8H2,1-3H3.
What are the key properties of N-(3-aminobutyl)-N-methylacetamide?
N-(3-aminobutyl)-N-methylacetamide has a molecular weight of 144.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-N-methylacetamide is sourced from PubChem (CID 88939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).