10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane

C16H25N3 — CID 64948996

IUPAC10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1ccc(CN2CCCNC3(CCCC3)C2)cn1
InChIInChI=1S/C16H25N3/c1-14-5-6-15(11-17-14)12-19-10-4-9-18-16(13-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12-13H2,1H3
InChIKeyLUPBWKMVQQCQCU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.50
Rot. Bonds2

About 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64948996) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64948996
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1ccc(CN2CCCNC3(CCCC3)C2)cn1
InChIInChI=1S/C16H25N3/c1-14-5-6-15(11-17-14)12-19-10-4-9-18-16(13-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12-13H2,1H3
InChIKeyLUPBWKMVQQCQCU-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane (CID 64948996) is 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane is Cc1ccc(CN2CCCNC3(CCCC3)C2)cn1.
What is the InChIKey of 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is LUPBWKMVQQCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-5-6-15(11-17-14)12-19-10-4-9-18-16(13-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12-13H2,1H3.
What are the key properties of 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 259.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64948996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).