3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine

C11H17N3O — CID 65331488

IUPAC3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)C2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-7-5-8(11(13)14-6-7)10(12)9-3-2-4-15-9/h5-6,9-10H,2-4,12H2,1H3,(H2,13,14)
InChIKeyPFDNWORSUANPTG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.15
Rot. Bonds2

About 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine

3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 65331488) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine
PubChem CID65331488
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)C2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-7-5-8(11(13)14-6-7)10(12)9-3-2-4-15-9/h5-6,9-10H,2-4,12H2,1H3,(H2,13,14)
InChIKeyPFDNWORSUANPTG-UHFFFAOYSA-N
XLogP1.15
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine (CID 65331488) is 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(N)C2CCCO2)c1.
What is the InChIKey of 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is PFDNWORSUANPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-5-8(11(13)14-6-7)10(12)9-3-2-4-15-9/h5-6,9-10H,2-4,12H2,1H3,(H2,13,14).
What are the key properties of 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine?
3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 65331488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).