3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine

C15H23N — CID 81417184

IUPAC3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(C)cc2C)C1(C)C
InChIInChI=1S/C15H23N/c1-10-6-7-12(11(2)8-10)13-9-14(16-5)15(13,3)4/h6-8,13-14,16H,9H2,1-5H3
InChIKeyIKAKDNHFGPQTMF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine

3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 81417184) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID81417184
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(C)cc2C)C1(C)C
InChIInChI=1S/C15H23N/c1-10-6-7-12(11(2)8-10)13-9-14(16-5)15(13,3)4/h6-8,13-14,16H,9H2,1-5H3
InChIKeyIKAKDNHFGPQTMF-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine (CID 81417184) is 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(c2ccc(C)cc2C)C1(C)C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is IKAKDNHFGPQTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-6-7-12(11(2)8-10)13-9-14(16-5)15(13,3)4/h6-8,13-14,16H,9H2,1-5H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine?
3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 81417184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).