5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

C13H22ClN3 — CID 62285526

IUPAC5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1ncc(CN)cc1Cl)C(C)C
InChIInChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyOVZLQYPYILRRCR-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.06
Rot. Bonds5

About 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 62285526) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID62285526
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1ncc(CN)cc1Cl)C(C)C
InChIInChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3
InChIKeyOVZLQYPYILRRCR-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (CID 62285526) is 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is CC(C)CN(c1ncc(CN)cc1Cl)C(C)C.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is OVZLQYPYILRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9(2)8-17(10(3)4)13-12(14)5-11(6-15)7-16-13/h5,7,9-10H,6,8,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 62285526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).