[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine

C17H27N — CID 64999945

IUPAC[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine
SMILESCC1(C)CC(CN)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N/c1-15(2,3)13-6-8-14(9-7-13)17(12-18)10-16(4,5)11-17/h6-9H,10-12,18H2,1-5H3
InChIKeyWIZSBMSOZOSIIZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds2

About [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine

[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine (PubChem CID 64999945) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine
PubChem CID64999945
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine
SMILESCC1(C)CC(CN)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N/c1-15(2,3)13-6-8-14(9-7-13)17(12-18)10-16(4,5)11-17/h6-9H,10-12,18H2,1-5H3
InChIKeyWIZSBMSOZOSIIZ-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.00
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)-3,3-dimethylcyclobutyl]methanamine?
The IUPAC name of [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine (CID 64999945) is [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine?
The canonical SMILES for [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine is CC1(C)CC(CN)(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine?
The InChIKey is WIZSBMSOZOSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-15(2,3)13-6-8-14(9-7-13)17(12-18)10-16(4,5)11-17/h6-9H,10-12,18H2,1-5H3.
What are the key properties of [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine?
[1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-3,3-dimethylcyclobutyl]methanamine is sourced from PubChem (CID 64999945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).