N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine

C13H19ClN2 — CID 79255888

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc(Cl)ccn1)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-2-16(13-5-3-4-6-13)10-12-9-11(14)7-8-15-12/h7-9,13H,2-6,10H2,1H3
InChIKeyXTXCYOKZNCPJAE-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.50
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine (PubChem CID 79255888) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine
PubChem CID79255888
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc(Cl)ccn1)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-2-16(13-5-3-4-6-13)10-12-9-11(14)7-8-15-12/h7-9,13H,2-6,10H2,1H3
InChIKeyXTXCYOKZNCPJAE-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine (CID 79255888) is N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine is CCN(Cc1cc(Cl)ccn1)C1CCCC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine?
The InChIKey is XTXCYOKZNCPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-16(13-5-3-4-6-13)10-12-9-11(14)7-8-15-12/h7-9,13H,2-6,10H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine has a molecular weight of 238.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 79255888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).