N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine

C18H29N — CID 43632210

IUPACN-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
SMILESCCCCC(CC)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18-12-17(13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3
InChIKeyFYZJUFRIKHRUSA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.74
Rot. Bonds8

About N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine

N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine (PubChem CID 43632210) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
PubChem CID43632210
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
SMILESCCCCC(CC)CNC1CC(c2ccccc2)C1
InChIInChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18-12-17(13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3
InChIKeyFYZJUFRIKHRUSA-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine (CID 43632210) is N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine is CCCCC(CC)CNC1CC(c2ccccc2)C1.
What is the InChIKey of N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine?
The InChIKey is FYZJUFRIKHRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18-12-17(13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine?
N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 43632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).