2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine

C17H29N — CID 83142141

IUPAC2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
SMILESCc1cc(C)c(CNCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C17H29N/c1-12-8-14(3)16(9-13(12)2)11-18-10-15(4)17(5,6)7/h8-9,15,18H,10-11H2,1-7H3
InChIKeyVQDKMGDOQKSEDT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds4

About 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine

2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine (PubChem CID 83142141) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
PubChem CID83142141
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
SMILESCc1cc(C)c(CNCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C17H29N/c1-12-8-14(3)16(9-13(12)2)11-18-10-15(4)17(5,6)7/h8-9,15,18H,10-11H2,1-7H3
InChIKeyVQDKMGDOQKSEDT-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
4-fluoro-2-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 107904704
2-prop-2-enoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 114264043
2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
CID 115255007
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
CID 83143874
2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252
4-methoxy-3-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 83143462

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine (CID 83142141) is 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine is Cc1cc(C)c(CNCC(C)C(C)(C)C)cc1C.
What is the InChIKey of 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is VQDKMGDOQKSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12-8-14(3)16(9-13(12)2)11-18-10-15(4)17(5,6)7/h8-9,15,18H,10-11H2,1-7H3.
What are the key properties of 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 83142141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).