2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

C16H26N2O — CID 115187544

IUPAC2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(CN)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)14(8-17)16(19)18-9-15-12(4)6-11(3)7-13(15)5/h6-7,10,14H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyZEQDQAWHFRKFCI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.46
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (PubChem CID 115187544) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
PubChem CID115187544
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(CN)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)14(8-17)16(19)18-9-15-12(4)6-11(3)7-13(15)5/h6-7,10,14H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyZEQDQAWHFRKFCI-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187295
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (CID 115187544) is 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is Cc1cc(C)c(CNC(=O)C(CN)C(C)C)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The InChIKey is ZEQDQAWHFRKFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)14(8-17)16(19)18-9-15-12(4)6-11(3)7-13(15)5/h6-7,10,14H,8-9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115187544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).