N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C19H31N — CID 81022912

IUPACN-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-18(2,3)16-10-7-14(8-11-16)17-12-9-15(17)13-20-19(4,5)6/h7-8,10-11,15,17,20H,9,12-13H2,1-6H3
InChIKeyUQUGXSWQMSWEAX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.87
Rot. Bonds3

About N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81022912) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81022912
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-18(2,3)16-10-7-14(8-11-16)17-12-9-15(17)13-20-19(4,5)6/h7-8,10-11,15,17,20H,9,12-13H2,1-6H3
InChIKeyUQUGXSWQMSWEAX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81022912) is N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UQUGXSWQMSWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-18(2,3)16-10-7-14(8-11-16)17-12-9-15(17)13-20-19(4,5)6/h7-8,10-11,15,17,20H,9,12-13H2,1-6H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81022912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).