N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C17H28N2O2 — CID 64850984

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOc1ncccc1CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)11-21-15-9-14(17(15,3)4)19-10-13-7-6-8-18-16(13)20-5/h6-8,12,14-15,19H,9-11H2,1-5H3
InChIKeyAJQGKZULWVTSLX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.02
Rot. Bonds7

About N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64850984) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64850984
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOc1ncccc1CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)11-21-15-9-14(17(15,3)4)19-10-13-7-6-8-18-16(13)20-5/h6-8,12,14-15,19H,9-11H2,1-5H3
InChIKeyAJQGKZULWVTSLX-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64850984) is N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is COc1ncccc1CNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is AJQGKZULWVTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)11-21-15-9-14(17(15,3)4)19-10-13-7-6-8-18-16(13)20-5/h6-8,12,14-15,19H,9-11H2,1-5H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64850984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).