2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine

C15H32N2 — CID 79565510

IUPAC2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCCCN(CCC1CCCC1N)C(C)C
InChIInChI=1S/C15H32N2/c1-4-5-6-11-17(13(2)3)12-10-14-8-7-9-15(14)16/h13-15H,4-12,16H2,1-3H3
InChIKeyBVGJBUHFRLFXOH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds8

About 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine

2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine (PubChem CID 79565510) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
PubChem CID79565510
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCCCN(CCC1CCCC1N)C(C)C
InChIInChI=1S/C15H32N2/c1-4-5-6-11-17(13(2)3)12-10-14-8-7-9-15(14)16/h13-15H,4-12,16H2,1-3H3
InChIKeyBVGJBUHFRLFXOH-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine (CID 79565510) is 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine is CCCCCN(CCC1CCCC1N)C(C)C.
What is the InChIKey of 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The InChIKey is BVGJBUHFRLFXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-6-11-17(13(2)3)12-10-14-8-7-9-15(14)16/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79565510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).