3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine

C16H25N — CID 81415787

IUPAC3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-5-16(6-2)14(10-15(16)17)13-8-11(3)7-12(4)9-13/h7-9,14-15H,5-6,10,17H2,1-4H3
InChIKeyHUDPJNZBHLVCAA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine

3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine (PubChem CID 81415787) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
PubChem CID81415787
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-5-16(6-2)14(10-15(16)17)13-8-11(3)7-12(4)9-13/h7-9,14-15H,5-6,10,17H2,1-4H3
InChIKeyHUDPJNZBHLVCAA-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine (CID 81415787) is 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1c1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine?
The InChIKey is HUDPJNZBHLVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-16(6-2)14(10-15(16)17)13-8-11(3)7-12(4)9-13/h7-9,14-15H,5-6,10,17H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine?
3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 81415787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).