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

C16H26N2O — CID 115187031

IUPAC2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-6-14(9-17)16(19)18(5)10-15-8-7-11(2)12(3)13(15)4/h7-8,14H,6,9-10,17H2,1-5H3
InChIKeyPGHGFWOEPKLEHW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.56
Rot. Bonds5

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

2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide (PubChem CID 115187031) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
PubChem CID115187031
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-6-14(9-17)16(19)18(5)10-15-8-7-11(2)12(3)13(15)4/h7-8,14H,6,9-10,17H2,1-5H3
InChIKeyPGHGFWOEPKLEHW-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163716
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
CID 117040414
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64512267
2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide (CID 115187031) is 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide is CCC(CN)C(=O)N(C)Cc1ccc(C)c(C)c1C.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide?
The InChIKey is PGHGFWOEPKLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-14(9-17)16(19)18(5)10-15-8-7-11(2)12(3)13(15)4/h7-8,14H,6,9-10,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide?
2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115187031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).