4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile

C18H33N3 — CID 64726925

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H33N3/c1-4-11-20-17(3,15-19)14-16(2)21-12-9-18(10-13-21)7-5-6-8-18/h16,20H,4-14H2,1-3H3
InChIKeyZDCXABOXIXMKBF-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.70
Rot. Bonds6

About 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile

4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 64726925) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile
PubChem CID64726925
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H33N3/c1-4-11-20-17(3,15-19)14-16(2)21-12-9-18(10-13-21)7-5-6-8-18/h16,20H,4-14H2,1-3H3
InChIKeyZDCXABOXIXMKBF-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile (CID 64726925) is 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is ZDCXABOXIXMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-20-17(3,15-19)14-16(2)21-12-9-18(10-13-21)7-5-6-8-18/h16,20H,4-14H2,1-3H3.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile?
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 291.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64726925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).