3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine

C11H17ClN2 — CID 63197527

IUPAC3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
SMILESCC(C)C(c1ccc(Cl)cn1)C(C)N
InChIInChI=1S/C11H17ClN2/c1-7(2)11(8(3)13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3
InChIKeyAUMFWDTUZXLHRU-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.82
Rot. Bonds3

About 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine

3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine (PubChem CID 63197527) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
PubChem CID63197527
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
SMILESCC(C)C(c1ccc(Cl)cn1)C(C)N
InChIInChI=1S/C11H17ClN2/c1-7(2)11(8(3)13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3
InChIKeyAUMFWDTUZXLHRU-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine (CID 63197527) is 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine is CC(C)C(c1ccc(Cl)cn1)C(C)N.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine?
The InChIKey is AUMFWDTUZXLHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-7(2)11(8(3)13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3.
What are the key properties of 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine?
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine has a molecular weight of 212.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine is sourced from PubChem (CID 63197527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).