5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide

C15H25N3O — CID 82848561

IUPAC5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C15H25N3O/c1-12(16)7-6-10-15(19)17-14-9-5-4-8-13(14)11-18(2)3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3,(H,17,19)
InChIKeyLLNFINBEVIILDJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds7

About 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide

5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide (PubChem CID 82848561) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
PubChem CID82848561
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C15H25N3O/c1-12(16)7-6-10-15(19)17-14-9-5-4-8-13(14)11-18(2)3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3,(H,17,19)
InChIKeyLLNFINBEVIILDJ-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
5-amino-N-(2-iodophenyl)hexanamide
CID 82848467
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 82851221
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide?
The IUPAC name of 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide (CID 82848561) is 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide?
The InChIKey is LLNFINBEVIILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(16)7-6-10-15(19)17-14-9-5-4-8-13(14)11-18(2)3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide?
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide has a molecular weight of 263.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide is sourced from PubChem (CID 82848561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).