5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine

C16H25N3 — CID 104534385

IUPAC5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine
SMILESCNc1cncc(N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C16H25N3/c1-17-14-11-15(13-18-12-14)19-9-7-16(8-10-19)5-3-2-4-6-16/h11-13,17H,2-10H2,1H3
InChIKeyIKHWWBBUUWALIK-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.67
Rot. Bonds2

About 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine

5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine (PubChem CID 104534385) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine
PubChem CID104534385
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine
SMILESCNc1cncc(N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C16H25N3/c1-17-14-11-15(13-18-12-14)19-9-7-16(8-10-19)5-3-2-4-6-16/h11-13,17H,2-10H2,1H3
InChIKeyIKHWWBBUUWALIK-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine (CID 104534385) is 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine is CNc1cncc(N2CCC3(CCCCC3)CC2)c1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine?
The InChIKey is IKHWWBBUUWALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-14-11-15(13-18-12-14)19-9-7-16(8-10-19)5-3-2-4-6-16/h11-13,17H,2-10H2,1H3.
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine?
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpyridin-3-amine is sourced from PubChem (CID 104534385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).