1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine

C15H23N — CID 66431561

IUPAC1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine
SMILESCC1CCC1(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N/c1-11-9-10-15(11,16)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyXUCAOMXPHMDUOV-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds1

About 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine

1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine (PubChem CID 66431561) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine
PubChem CID66431561
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine
SMILESCC1CCC1(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N/c1-11-9-10-15(11,16)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyXUCAOMXPHMDUOV-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine (CID 66431561) is 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine is CC1CCC1(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine?
The InChIKey is XUCAOMXPHMDUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-9-10-15(11,16)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine?
1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66431561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).