1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine

C15H25N — CID 63890228

IUPAC1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-11-7-12(2)9-13(8-11)14(16-6)10-15(3,4)5/h7-9,14,16H,10H2,1-6H3
InChIKeyFITCOUDABNMADD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.00
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine

1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 63890228) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID63890228
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-11-7-12(2)9-13(8-11)14(16-6)10-15(3,4)5/h7-9,14,16H,10H2,1-6H3
InChIKeyFITCOUDABNMADD-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 65299488
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412351
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine (CID 63890228) is 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is FITCOUDABNMADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11-7-12(2)9-13(8-11)14(16-6)10-15(3,4)5/h7-9,14,16H,10H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 63890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).