N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide

C15H25N3O — CID 43570704

IUPACN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(C)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-4-13(5-2)18(3)11-15(19)17-14-9-7-6-8-12(14)10-16/h6-9,13H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyUBTPUHSRBOTYDR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide

N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide (PubChem CID 43570704) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
PubChem CID43570704
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(C)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-4-13(5-2)18(3)11-15(19)17-14-9-7-6-8-12(14)10-16/h6-9,13H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyUBTPUHSRBOTYDR-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-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide (CID 43570704) is N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide is CCC(CC)N(C)CC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide?
The InChIKey is UBTPUHSRBOTYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13(5-2)18(3)11-15(19)17-14-9-7-6-8-12(14)10-16/h6-9,13H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide?
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide 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 N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide is sourced from PubChem (CID 43570704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).