N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline

C18H29NO — CID 64852334

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
SMILESCCc1ccccc1NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C18H29NO/c1-6-14-9-7-8-10-15(14)19-16-11-17(18(16,4)5)20-12-13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3
InChIKeyBXTUCXRQQKRCBX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.50
Rot. Bonds6

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline (PubChem CID 64852334) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
PubChem CID64852334
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
SMILESCCc1ccccc1NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C18H29NO/c1-6-14-9-7-8-10-15(14)19-16-11-17(18(16,4)5)20-12-13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3
InChIKeyBXTUCXRQQKRCBX-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.50
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]-2-ethylaniline?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline (CID 64852334) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline is CCc1ccccc1NC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline?
The InChIKey is BXTUCXRQQKRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-14-9-7-8-10-15(14)19-16-11-17(18(16,4)5)20-12-13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline has a molecular weight of 275.44 g/mol, XLogP of 4.50, 6 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]-2-ethylaniline is sourced from PubChem (CID 64852334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).