N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine

C14H28N2 — CID 116680263

IUPACN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
SMILESCC(C)CN(CCC1CNC1)C1CCCC1
InChIInChI=1S/C14H28N2/c1-12(2)11-16(14-5-3-4-6-14)8-7-13-9-15-10-13/h12-15H,3-11H2,1-2H3
InChIKeyQQLRMNZBWJNFGK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine

N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine (PubChem CID 116680263) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
PubChem CID116680263
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
SMILESCC(C)CN(CCC1CNC1)C1CCCC1
InChIInChI=1S/C14H28N2/c1-12(2)11-16(14-5-3-4-6-14)8-7-13-9-15-10-13/h12-15H,3-11H2,1-2H3
InChIKeyQQLRMNZBWJNFGK-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine (CID 116680263) is N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine is CC(C)CN(CCC1CNC1)C1CCCC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine?
The InChIKey is QQLRMNZBWJNFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)11-16(14-5-3-4-6-14)8-7-13-9-15-10-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine?
N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine is sourced from PubChem (CID 116680263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).