8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

C17H27N3 — CID 64840047

IUPAC8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccccn2)C2(CCCC2)CN1
InChIInChI=1S/C17H27N3/c1-14(2)16-12-20(11-15-7-3-6-10-18-15)17(13-19-16)8-4-5-9-17/h3,6-7,10,14,16,19H,4-5,8-9,11-13H2,1-2H3
InChIKeySAWFCAHKUPFDQB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.82
Rot. Bonds3

About 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64840047) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64840047
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccccn2)C2(CCCC2)CN1
InChIInChI=1S/C17H27N3/c1-14(2)16-12-20(11-15-7-3-6-10-18-15)17(13-19-16)8-4-5-9-17/h3,6-7,10,14,16,19H,4-5,8-9,11-13H2,1-2H3
InChIKeySAWFCAHKUPFDQB-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
CID 64838682
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64837716
6-[2-(2-methylpyrazol-3-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 103016334
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64840047) is 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is CC(C)C1CN(Cc2ccccn2)C2(CCCC2)CN1.
What is the InChIKey of 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is SAWFCAHKUPFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(2)16-12-20(11-15-7-3-6-10-18-15)17(13-19-16)8-4-5-9-17/h3,6-7,10,14,16,19H,4-5,8-9,11-13H2,1-2H3.
What are the key properties of 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 273.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64840047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).