6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine

C16H24ClN3 — CID 62930781

IUPAC6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C16H24ClN3/c17-13-4-5-15(18)19-14(13)12-20-10-8-16(9-11-20)6-2-1-3-7-16/h4-5H,1-3,6-12H2,(H2,18,19)
InChIKeyHAKRQEFLWHJBDY-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.86
Rot. Bonds2

About 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine

6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine (PubChem CID 62930781) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine
PubChem CID62930781
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C16H24ClN3/c17-13-4-5-15(18)19-14(13)12-20-10-8-16(9-11-20)6-2-1-3-7-16/h4-5H,1-3,6-12H2,(H2,18,19)
InChIKeyHAKRQEFLWHJBDY-UHFFFAOYSA-N
XLogP3.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine (CID 62930781) is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine is Nc1ccc(Cl)c(CN2CCC3(CCCCC3)CC2)n1.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine?
The InChIKey is HAKRQEFLWHJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-13-4-5-15(18)19-14(13)12-20-10-8-16(9-11-20)6-2-1-3-7-16/h4-5H,1-3,6-12H2,(H2,18,19).
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine?
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine has a molecular weight of 293.84 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 62930781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).