2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile

C17H28N2O — CID 102848105

IUPAC2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CCC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C17H28N2O/c18-12-13-19(15-6-2-3-7-15)14-16-8-11-17(20-16)9-4-1-5-10-17/h15-16H,1-11,13-14H2
InChIKeyKZRXEDIWQUOIOL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.64
Rot. Bonds4

About 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile

2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (PubChem CID 102848105) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
PubChem CID102848105
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CCC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C17H28N2O/c18-12-13-19(15-6-2-3-7-15)14-16-8-11-17(20-16)9-4-1-5-10-17/h15-16H,1-11,13-14H2
InChIKeyKZRXEDIWQUOIOL-UHFFFAOYSA-N
XLogP3.64
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[[(2S)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperazine
CID 100683398
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
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
3-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile
CID 102848119
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848122

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (CID 102848105) is 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is N#CCN(CC1CCC2(CCCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The InChIKey is KZRXEDIWQUOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c18-12-13-19(15-6-2-3-7-15)14-16-8-11-17(20-16)9-4-1-5-10-17/h15-16H,1-11,13-14H2.
What are the key properties of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile has a molecular weight of 276.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 102848105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).