3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile

C16H26N2O — CID 102848124

IUPAC3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H26N2O/c17-11-4-12-18(14-5-6-14)13-15-7-10-16(19-15)8-2-1-3-9-16/h14-15H,1-10,12-13H2
InChIKeyIFCSFZSVFGDZCW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds5

About 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile

3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (PubChem CID 102848124) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
PubChem CID102848124
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H26N2O/c17-11-4-12-18(14-5-6-14)13-15-7-10-16(19-15)8-2-1-3-9-16/h14-15H,1-10,12-13H2
InChIKeyIFCSFZSVFGDZCW-UHFFFAOYSA-N
XLogP3.25
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
CID 102848070
3-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 102848073
2-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848075
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083
4-(1-Oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carbonitrile
CID 102848098
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848105
3-[2-Methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848106
3-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]propanenitrile
CID 102848113
3-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848114
3-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848115
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile
CID 102848118

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (CID 102848124) is 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is N#CCCN(CC1CCC2(CCCCC2)O1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The InChIKey is IFCSFZSVFGDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-11-4-12-18(14-5-6-14)13-15-7-10-16(19-15)8-2-1-3-9-16/h14-15H,1-10,12-13H2.
What are the key properties of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile has a molecular weight of 262.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 102848124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).