3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine

C13H20ClN3 — CID 62279711

IUPAC3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(c1ncc(CNC)cc1Cl)C1CC1
InChIInChI=1S/C13H20ClN3/c1-3-6-17(11-4-5-11)13-12(14)7-10(8-15-2)9-16-13/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyBRZKNTBAMZUZFJ-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.83
Rot. Bonds6

About 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine

3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine (PubChem CID 62279711) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
PubChem CID62279711
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(c1ncc(CNC)cc1Cl)C1CC1
InChIInChI=1S/C13H20ClN3/c1-3-6-17(11-4-5-11)13-12(14)7-10(8-15-2)9-16-13/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyBRZKNTBAMZUZFJ-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine (CID 62279711) is 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine is CCCN(c1ncc(CNC)cc1Cl)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine?
The InChIKey is BRZKNTBAMZUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-6-17(11-4-5-11)13-12(14)7-10(8-15-2)9-16-13/h7,9,11,15H,3-6,8H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine?
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62279711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).