7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide

C15H31N3O — CID 105417687

IUPAC7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)CCCCCCN
InChIInChI=1S/C15H31N3O/c1-17(2)15(10-8-11-15)13-18(3)14(19)9-6-4-5-7-12-16/h4-13,16H2,1-3H3
InChIKeyVSTUCXGRAYDEFM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds9

About 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide

7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide (PubChem CID 105417687) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
PubChem CID105417687
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)CCCCCCN
InChIInChI=1S/C15H31N3O/c1-17(2)15(10-8-11-15)13-18(3)14(19)9-6-4-5-7-12-16/h4-13,16H2,1-3H3
InChIKeyVSTUCXGRAYDEFM-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
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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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
CID 105417667
N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
CID 105416138
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709
7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 105417592
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide?
The IUPAC name of 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide (CID 105417687) is 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide?
The canonical SMILES for 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide is CN(CC1(N(C)C)CCC1)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide?
The InChIKey is VSTUCXGRAYDEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(2)15(10-8-11-15)13-18(3)14(19)9-6-4-5-7-12-16/h4-13,16H2,1-3H3.
What are the key properties of 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide?
7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide has a molecular weight of 269.43 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide is sourced from PubChem (CID 105417687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).