2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

C13H27NO — CID 66357192

IUPAC2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OC(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-12H,6-8,14H2,1-5H3
InChIKeyLZGJLUSWQQJJQB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.95
Rot. Bonds5

About 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (PubChem CID 66357192) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
PubChem CID66357192
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OC(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-12H,6-8,14H2,1-5H3
InChIKeyLZGJLUSWQQJJQB-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (CID 66357192) is 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is CCC1(C)C(N)CC1OC(C)CC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The InChIKey is LZGJLUSWQQJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-12H,6-8,14H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66357192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).