2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine

C14H25N — CID 79559439

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
SMILESNC(CC1CC2CCC1C2)C1CCCC1
InChIInChI=1S/C14H25N/c15-14(11-3-1-2-4-11)9-13-8-10-5-6-12(13)7-10/h10-14H,1-9,15H2
InChIKeyXTCYIDZAIIMOFO-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.33
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine (PubChem CID 79559439) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
PubChem CID79559439
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
SMILESNC(CC1CC2CCC1C2)C1CCCC1
InChIInChI=1S/C14H25N/c15-14(11-3-1-2-4-11)9-13-8-10-5-6-12(13)7-10/h10-14H,1-9,15H2
InChIKeyXTCYIDZAIIMOFO-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine (CID 79559439) is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine is NC(CC1CC2CCC1C2)C1CCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The InChIKey is XTCYIDZAIIMOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c15-14(11-3-1-2-4-11)9-13-8-10-5-6-12(13)7-10/h10-14H,1-9,15H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine is sourced from PubChem (CID 79559439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).