1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine

C17H27N — CID 103168467

IUPAC1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CC2CCC2)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)15-9-7-14(8-10-15)12-16(18)11-13-5-4-6-13/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyNQTQGCSOOSDUQC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine

1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine (PubChem CID 103168467) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
PubChem CID103168467
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CC2CCC2)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)15-9-7-14(8-10-15)12-16(18)11-13-5-4-6-13/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyNQTQGCSOOSDUQC-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.04
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)-3-cyclobutylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine (CID 103168467) is 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine is CC(C)(C)c1ccc(CC(N)CC2CCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine?
The InChIKey is NQTQGCSOOSDUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)15-9-7-14(8-10-15)12-16(18)11-13-5-4-6-13/h7-10,13,16H,4-6,11-12,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine?
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine is sourced from PubChem (CID 103168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).