6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine

C13H21N3O — CID 102700710

IUPAC6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine
SMILESCOC(C)CNc1cccc(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-10(17-2)8-15-13-5-3-4-12(16-13)9-14-11-6-7-11/h3-5,10-11,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyBEQSMZSOWFAMLC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds7

About 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine

6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine (PubChem CID 102700710) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine
PubChem CID102700710
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine
SMILESCOC(C)CNc1cccc(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-10(17-2)8-15-13-5-3-4-12(16-13)9-14-11-6-7-11/h3-5,10-11,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyBEQSMZSOWFAMLC-UHFFFAOYSA-N
XLogP1.78
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine (CID 102700710) is 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine is COC(C)CNc1cccc(CNC2CC2)n1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine?
The InChIKey is BEQSMZSOWFAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(17-2)8-15-13-5-3-4-12(16-13)9-14-11-6-7-11/h3-5,10-11,14H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine?
6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 102700710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).