9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

C15H23N5 — CID 45379468

IUPAC9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
SMILESCN1CCC2(CC1)NCCN=C2NCc1cccnc1
InChIInChI=1S/C15H23N5/c1-20-9-4-15(5-10-20)14(17-7-8-19-15)18-12-13-3-2-6-16-11-13/h2-3,6,11,19H,4-5,7-10,12H2,1H3,(H,17,18)
InChIKeyNNUOHZARXHKMCM-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.64
Rot. Bonds2

About 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine (PubChem CID 45379468) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine.

Molecular Properties

Compound Name9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
PubChem CID45379468
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
SMILESCN1CCC2(CC1)NCCN=C2NCc1cccnc1
InChIInChI=1S/C15H23N5/c1-20-9-4-15(5-10-20)14(17-7-8-19-15)18-12-13-3-2-6-16-11-13/h2-3,6,11,19H,4-5,7-10,12H2,1H3,(H,17,18)
InChIKeyNNUOHZARXHKMCM-UHFFFAOYSA-N
XLogP0.64
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine?
The IUPAC name of 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine (CID 45379468) is 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine.
What is the SMILES notation for 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine?
The canonical SMILES for 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine is CN1CCC2(CC1)NCCN=C2NCc1cccnc1.
What is the InChIKey of 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine?
The InChIKey is NNUOHZARXHKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-20-9-4-15(5-10-20)14(17-7-8-19-15)18-12-13-3-2-6-16-11-13/h2-3,6,11,19H,4-5,7-10,12H2,1H3,(H,17,18).
What are the key properties of 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine?
9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine has a molecular weight of 273.38 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine is sourced from PubChem (CID 45379468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).