N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine

C14H28N2O — CID 114221239

IUPACN-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
SMILESCOC1CCN(CCNC2CCCC2)C(C)C1
InChIInChI=1S/C14H28N2O/c1-12-11-14(17-2)7-9-16(12)10-8-15-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3
InChIKeyKWMPIYFVQCFVPS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine

N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine (PubChem CID 114221239) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
PubChem CID114221239
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
SMILESCOC1CCN(CCNC2CCCC2)C(C)C1
InChIInChI=1S/C14H28N2O/c1-12-11-14(17-2)7-9-16(12)10-8-15-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3
InChIKeyKWMPIYFVQCFVPS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine (CID 114221239) is N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine is COC1CCN(CCNC2CCCC2)C(C)C1.
What is the InChIKey of N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine?
The InChIKey is KWMPIYFVQCFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-11-14(17-2)7-9-16(12)10-8-15-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine?
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 114221239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).