(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine

C13H19ClN2 — CID 81394526

IUPAC(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
SMILESC[C@@H](NCc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-10(11-4-2-3-5-11)16-8-12-6-7-15-9-13(12)14/h6-7,9-11,16H,2-5,8H2,1H3/t10-/m1/s1
InChIKeyZQFZQYVOUOJPFG-SNVBAGLBSA-N
MW238.76 g/mol
LogP3.40
Rot. Bonds4

About (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine

(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine (PubChem CID 81394526) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
PubChem CID81394526
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
SMILESC[C@@H](NCc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C13H19ClN2/c1-10(11-4-2-3-5-11)16-8-12-6-7-15-9-13(12)14/h6-7,9-11,16H,2-5,8H2,1H3/t10-/m1/s1
InChIKeyZQFZQYVOUOJPFG-SNVBAGLBSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine (CID 81394526) is (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine is C[C@@H](NCc1ccncc1Cl)C1CCCC1.
What is the InChIKey of (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine?
The InChIKey is ZQFZQYVOUOJPFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(11-4-2-3-5-11)16-8-12-6-7-15-9-13(12)14/h6-7,9-11,16H,2-5,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine?
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine has a molecular weight of 238.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 81394526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).