N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine

C13H27NO — CID 138467253

IUPACN-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine
SMILESCC(C)C(C)OC1CC(NC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-9(2)10(3)15-12-7-11(8-12)14-13(4,5)6/h9-12,14H,7-8H2,1-6H3
InChIKeyKKOVZDWEYLVTOP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds4

About N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine

N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine (PubChem CID 138467253) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine
PubChem CID138467253
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine
SMILESCC(C)C(C)OC1CC(NC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-9(2)10(3)15-12-7-11(8-12)14-13(4,5)6/h9-12,14H,7-8H2,1-6H3
InChIKeyKKOVZDWEYLVTOP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine (CID 138467253) is N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine is CC(C)C(C)OC1CC(NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine?
The InChIKey is KKOVZDWEYLVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)10(3)15-12-7-11(8-12)14-13(4,5)6/h9-12,14H,7-8H2,1-6H3.
What are the key properties of N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine?
N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methylbutan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 138467253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).