5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine

C10H17N3O — CID 102694575

IUPAC5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
SMILESCOC(C)CNc1ccc(CN)cn1
InChIInChI=1S/C10H17N3O/c1-8(14-2)6-12-10-4-3-9(5-11)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyMZGHTUMVZBAWMH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds5

About 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine

5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine (PubChem CID 102694575) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
PubChem CID102694575
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
SMILESCOC(C)CNc1ccc(CN)cn1
InChIInChI=1S/C10H17N3O/c1-8(14-2)6-12-10-4-3-9(5-11)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyMZGHTUMVZBAWMH-UHFFFAOYSA-N
XLogP0.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine (CID 102694575) is 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine is COC(C)CNc1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine?
The InChIKey is MZGHTUMVZBAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(14-2)6-12-10-4-3-9(5-11)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine?
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 102694575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).