3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine

C15H31NO — CID 135165017

IUPAC3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
SMILESCN(CC(C)(C)C)C1CC(OCC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-14(2,3)10-16(7)12-8-13(9-12)17-11-15(4,5)6/h12-13H,8-11H2,1-7H3
InChIKeyOWTRCJCSYMSIDL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.56
Rot. Bonds4

About 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine

3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine (PubChem CID 135165017) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
PubChem CID135165017
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
SMILESCN(CC(C)(C)C)C1CC(OCC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-14(2,3)10-16(7)12-8-13(9-12)17-11-15(4,5)6/h12-13H,8-11H2,1-7H3
InChIKeyOWTRCJCSYMSIDL-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine (CID 135165017) is 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine is CN(CC(C)(C)C)C1CC(OCC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
The InChIKey is OWTRCJCSYMSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)10-16(7)12-8-13(9-12)17-11-15(4,5)6/h12-13H,8-11H2,1-7H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine?
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 135165017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).