3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile

C15H27N3 — CID 63159213

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H27N3/c1-2-9-17-14(12-16)13-18-10-7-15(8-11-18)5-3-4-6-15/h14,17H,2-11,13H2,1H3
InChIKeyOXFMBZRDYZYRGA-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds5

About 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile

3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile (PubChem CID 63159213) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
PubChem CID63159213
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H27N3/c1-2-9-17-14(12-16)13-18-10-7-15(8-11-18)5-3-4-6-15/h14,17H,2-11,13H2,1H3
InChIKeyOXFMBZRDYZYRGA-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-azaspiro[5.5]undecan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 62931463
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanenitrile
CID 63634360
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
CID 55156311
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
CID 63055078
1-(8-azaspiro[4.5]decan-8-yl)butan-2-amine
CID 63160833

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile (CID 63159213) is 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)CN1CCC2(CCCC2)CC1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile?
The InChIKey is OXFMBZRDYZYRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-9-17-14(12-16)13-18-10-7-15(8-11-18)5-3-4-6-15/h14,17H,2-11,13H2,1H3.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile?
3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63159213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).