5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide

C15H25N3O — CID 104684743

IUPAC5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(5-4-10-16)15(19)17-11-13-6-8-14(9-7-13)18(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyFEGWZMMJXZRPGE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.74
Rot. Bonds7

About 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide

5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide (PubChem CID 104684743) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
PubChem CID104684743
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(5-4-10-16)15(19)17-11-13-6-8-14(9-7-13)18(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyFEGWZMMJXZRPGE-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 65229472
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542537
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide (CID 104684743) is 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide is CC(CCCN)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide?
The InChIKey is FEGWZMMJXZRPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(5-4-10-16)15(19)17-11-13-6-8-14(9-7-13)18(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide?
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 104684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).