N,N-dimethyl-4-(methylamino)butanamide;ethane

C9H22N2O — CID 163270647

IUPACN,N-dimethyl-4-(methylamino)butanamide;ethane
SMILESCC.CNCCCC(=O)N(C)C
InChIInChI=1S/C7H16N2O.C2H6/c1-8-6-4-5-7(10)9(2)3;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyWJSQYNDPGLNRFM-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.10
Rot. Bonds4

About N,N-dimethyl-4-(methylamino)butanamide;ethane

N,N-dimethyl-4-(methylamino)butanamide;ethane (PubChem CID 163270647) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylamino)butanamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylamino)butanamide;ethane
PubChem CID163270647
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN,N-dimethyl-4-(methylamino)butanamide;ethane
SMILESCC.CNCCCC(=O)N(C)C
InChIInChI=1S/C7H16N2O.C2H6/c1-8-6-4-5-7(10)9(2)3;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyWJSQYNDPGLNRFM-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(methylcarbamoylamino)butanamide
CID 59006534
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
4-(ethoxyamino)-N,N-dimethylbutanamide
CID 64974940
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
CID 166186517
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
CID 161259059
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
CID 63965989
[5-(dimethylamino)-5-oxopentyl]carbamic acid
CID 87506215
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylamino)butanamide;ethane?
The IUPAC name of N,N-dimethyl-4-(methylamino)butanamide;ethane (CID 163270647) is N,N-dimethyl-4-(methylamino)butanamide;ethane.
What is the SMILES notation for N,N-dimethyl-4-(methylamino)butanamide;ethane?
The canonical SMILES for N,N-dimethyl-4-(methylamino)butanamide;ethane is CC.CNCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(methylamino)butanamide;ethane?
The InChIKey is WJSQYNDPGLNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-8-6-4-5-7(10)9(2)3;1-2/h8H,4-6H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-4-(methylamino)butanamide;ethane?
N,N-dimethyl-4-(methylamino)butanamide;ethane has a molecular weight of 174.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylamino)butanamide;ethane is sourced from PubChem (CID 163270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).