3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane

C14H23N3 — CID 86340422

IUPAC3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1=CNC(N2CCC3(CCNCC3)CC2)C=C1
InChIInChI=1S/C14H23N3/c1-2-8-16-13(3-1)17-11-6-14(7-12-17)4-9-15-10-5-14/h1-3,8,13,15-16H,4-7,9-12H2
InChIKeyTWBXZYAVBMHBAP-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.45
Rot. Bonds1

About 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane

3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 86340422) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID86340422
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1=CNC(N2CCC3(CCNCC3)CC2)C=C1
InChIInChI=1S/C14H23N3/c1-2-8-16-13(3-1)17-11-6-14(7-12-17)4-9-15-10-5-14/h1-3,8,13,15-16H,4-7,9-12H2
InChIKeyTWBXZYAVBMHBAP-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane (CID 86340422) is 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane is C1=CNC(N2CCC3(CCNCC3)CC2)C=C1.
What is the InChIKey of 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is TWBXZYAVBMHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-8-16-13(3-1)17-11-6-14(7-12-17)4-9-15-10-5-14/h1-3,8,13,15-16H,4-7,9-12H2.
What are the key properties of 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane?
3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 233.36 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyridin-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 86340422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).