N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine

C19H32N2O — CID 177124053

IUPACN-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)COc1ccc(CC2CC(NC(C)(C)C)C2)nc1
InChIInChI=1S/C19H32N2O/c1-18(2,3)13-22-17-8-7-15(20-12-17)9-14-10-16(11-14)21-19(4,5)6/h7-8,12,14,16,21H,9-11,13H2,1-6H3
InChIKeyXBOMPZMSDLVMGW-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.22
Rot. Bonds5

About N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine

N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine (PubChem CID 177124053) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine
PubChem CID177124053
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)COc1ccc(CC2CC(NC(C)(C)C)C2)nc1
InChIInChI=1S/C19H32N2O/c1-18(2,3)13-22-17-8-7-15(20-12-17)9-14-10-16(11-14)21-19(4,5)6/h7-8,12,14,16,21H,9-11,13H2,1-6H3
InChIKeyXBOMPZMSDLVMGW-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine (CID 177124053) is N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine is CC(C)(C)COc1ccc(CC2CC(NC(C)(C)C)C2)nc1.
What is the InChIKey of N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine?
The InChIKey is XBOMPZMSDLVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-18(2,3)13-22-17-8-7-15(20-12-17)9-14-10-16(11-14)21-19(4,5)6/h7-8,12,14,16,21H,9-11,13H2,1-6H3.
What are the key properties of N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine?
N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 177124053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).