3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine

C14H29NO — CID 115726136

IUPAC3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(C)(OC)C1(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-8-11(10(2)3)15-12-9-14(6,16-7)13(12,4)5/h10-12,15H,8-9H2,1-7H3
InChIKeyOMXLLYITNHXZEV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds5

About 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine

3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine (PubChem CID 115726136) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
PubChem CID115726136
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(C)(OC)C1(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-8-11(10(2)3)15-12-9-14(6,16-7)13(12,4)5/h10-12,15H,8-9H2,1-7H3
InChIKeyOMXLLYITNHXZEV-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine (CID 115726136) is 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine is CCC(NC1CC(C)(OC)C1(C)C)C(C)C.
What is the InChIKey of 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The InChIKey is OMXLLYITNHXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-11(10(2)3)15-12-9-14(6,16-7)13(12,4)5/h10-12,15H,8-9H2,1-7H3.
What are the key properties of 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 115726136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).