7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide

C16H27N3O — CID 61250502

IUPAC7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
SMILESCN(C)c1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)15-10-8-14(9-11-15)13-18-16(20)7-5-3-4-6-12-17/h8-11H,3-7,12-13,17H2,1-2H3,(H,18,20)
InChIKeyGMIRGBFEEHFFQT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.28
Rot. Bonds9

About 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide

7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide (PubChem CID 61250502) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
PubChem CID61250502
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
SMILESCN(C)c1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)15-10-8-14(9-11-15)13-18-16(20)7-5-3-4-6-12-17/h8-11H,3-7,12-13,17H2,1-2H3,(H,18,20)
InChIKeyGMIRGBFEEHFFQT-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide (CID 61250502) is 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide is CN(C)c1ccc(CNC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide?
The InChIKey is GMIRGBFEEHFFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)15-10-8-14(9-11-15)13-18-16(20)7-5-3-4-6-12-17/h8-11H,3-7,12-13,17H2,1-2H3,(H,18,20).
What are the key properties of 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide?
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide has a molecular weight of 277.41 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide is sourced from PubChem (CID 61250502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).