2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine

C18H27N — CID 114605846

IUPAC2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1ccccc1C1CCC1
InChIInChI=1S/C18H27N/c1-2-13-19-18-12-6-11-17(18)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,9-10,14,17-19H,2,5-8,11-13H2,1H3
InChIKeyYSSDQNSJYVGTLW-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.59
Rot. Bonds5

About 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine

2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine (PubChem CID 114605846) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
PubChem CID114605846
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1ccccc1C1CCC1
InChIInChI=1S/C18H27N/c1-2-13-19-18-12-6-11-17(18)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,9-10,14,17-19H,2,5-8,11-13H2,1H3
InChIKeyYSSDQNSJYVGTLW-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine (CID 114605846) is 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1c1ccccc1C1CCC1.
What is the InChIKey of 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine?
The InChIKey is YSSDQNSJYVGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-13-19-18-12-6-11-17(18)16-10-4-3-9-15(16)14-7-5-8-14/h3-4,9-10,14,17-19H,2,5-8,11-13H2,1H3.
What are the key properties of 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine?
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114605846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).