4-(2-amino-3-methoxybutyl)pyridin-2-amine

C10H17N3O — CID 79615950

IUPAC4-(2-amino-3-methoxybutyl)pyridin-2-amine
SMILESCOC(C)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C10H17N3O/c1-7(14-2)9(11)5-8-3-4-13-10(12)6-8/h3-4,6-7,9H,5,11H2,1-2H3,(H2,12,13)
InChIKeyBSNMIFAKOHEXEC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.57
Rot. Bonds4

About 4-(2-amino-3-methoxybutyl)pyridin-2-amine

4-(2-amino-3-methoxybutyl)pyridin-2-amine (PubChem CID 79615950) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2-amino-3-methoxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-3-methoxybutyl)pyridin-2-amine
PubChem CID79615950
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2-amino-3-methoxybutyl)pyridin-2-amine
SMILESCOC(C)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C10H17N3O/c1-7(14-2)9(11)5-8-3-4-13-10(12)6-8/h3-4,6-7,9H,5,11H2,1-2H3,(H2,12,13)
InChIKeyBSNMIFAKOHEXEC-UHFFFAOYSA-N
XLogP0.57
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methoxybutyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-3-methoxybutyl)pyridin-2-amine (CID 79615950) is 4-(2-amino-3-methoxybutyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-3-methoxybutyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-3-methoxybutyl)pyridin-2-amine is COC(C)C(N)Cc1ccnc(N)c1.
What is the InChIKey of 4-(2-amino-3-methoxybutyl)pyridin-2-amine?
The InChIKey is BSNMIFAKOHEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(14-2)9(11)5-8-3-4-13-10(12)6-8/h3-4,6-7,9H,5,11H2,1-2H3,(H2,12,13).
What are the key properties of 4-(2-amino-3-methoxybutyl)pyridin-2-amine?
4-(2-amino-3-methoxybutyl)pyridin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methoxybutyl)pyridin-2-amine is sourced from PubChem (CID 79615950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).