11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane

C16H25N3 — CID 64951580

IUPAC11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccncc1N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-14-6-10-17-12-15(14)19-11-5-9-18-16(13-19)7-3-2-4-8-16/h6,10,12,18H,2-5,7-9,11,13H2,1H3
InChIKeyPDIQJJWVLRAQHE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.89
Rot. Bonds1

About 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane

11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64951580) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64951580
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccncc1N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-14-6-10-17-12-15(14)19-11-5-9-18-16(13-19)7-3-2-4-8-16/h6,10,12,18H,2-5,7-9,11,13H2,1H3
InChIKeyPDIQJJWVLRAQHE-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane (CID 64951580) is 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane is Cc1ccncc1N1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is PDIQJJWVLRAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-6-10-17-12-15(14)19-11-5-9-18-16(13-19)7-3-2-4-8-16/h6,10,12,18H,2-5,7-9,11,13H2,1H3.
What are the key properties of 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane?
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 259.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64951580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).