2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide

C16H27N3O — CID 43458006

IUPAC2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-5-15(6-2)18-16(20)12(3)19(4)11-13-8-7-9-14(17)10-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyJEERLKSXGBZHTR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide

2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide (PubChem CID 43458006) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide
PubChem CID43458006
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-5-15(6-2)18-16(20)12(3)19(4)11-13-8-7-9-14(17)10-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyJEERLKSXGBZHTR-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
CID 43459791
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-butan-2-ylacetamide
CID 43460260
[1-oxo-1-(pentan-3-ylamino)propan-2-yl] 3-aminobenzoate
CID 60720865
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 47145321
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855
2-[(3-carbamothioylphenyl)methyl-methylamino]-N-propylpropanamide
CID 62966542

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide (CID 43458006) is 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N(C)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is JEERLKSXGBZHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-15(6-2)18-16(20)12(3)19(4)11-13-8-7-9-14(17)10-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide?
2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43458006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).