N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine

C17H31NO — CID 64852165

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)COC1CC(NC2CC3CCC2C3)C1(C)C
InChIInChI=1S/C17H31NO/c1-11(2)10-19-16-9-15(17(16,3)4)18-14-8-12-5-6-13(14)7-12/h11-16,18H,5-10H2,1-4H3
InChIKeyVRJBUDHGPCNUNC-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.60
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 64852165) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID64852165
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)COC1CC(NC2CC3CCC2C3)C1(C)C
InChIInChI=1S/C17H31NO/c1-11(2)10-19-16-9-15(17(16,3)4)18-14-8-12-5-6-13(14)7-12/h11-16,18H,5-10H2,1-4H3
InChIKeyVRJBUDHGPCNUNC-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine (CID 64852165) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine is CC(C)COC1CC(NC2CC3CCC2C3)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is VRJBUDHGPCNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-11(2)10-19-16-9-15(17(16,3)4)18-14-8-12-5-6-13(14)7-12/h11-16,18H,5-10H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 64852165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).