N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide

C13H27N3O — CID 105417667

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-14-10-5-7-12(17)16(4)11-13(15(2)3)8-6-9-13/h14H,5-11H2,1-4H3
InChIKeyKEGMYTDLNNSYSS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 105417667) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
PubChem CID105417667
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-14-10-5-7-12(17)16(4)11-13(15(2)3)8-6-9-13/h14H,5-11H2,1-4H3
InChIKeyKEGMYTDLNNSYSS-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide (CID 105417667) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is KEGMYTDLNNSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-14-10-5-7-12(17)16(4)11-13(15(2)3)8-6-9-13/h14H,5-11H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 105417667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).