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

C14H24N2O — CID 102848075

IUPAC2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESCCN(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-9,11-12H2,1H3
InChIKeyLLJSSJSRLCEMHL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds4

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

2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (PubChem CID 102848075) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
PubChem CID102848075
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESCCN(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-9,11-12H2,1H3
InChIKeyLLJSSJSRLCEMHL-UHFFFAOYSA-N
XLogP2.71
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
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

N-methyl-4-(oxan-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]butan-1-amine
CID 100703854
9-Methyl-1-oxa-9-azaspiro[4.5]decane
CID 67987651
9-Ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 145687411
Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 153357238
10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 168251878
1-Methyl-6-propan-2-yloxy-1-azaspiro[4.5]decane
CID 177126304
1-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 65208804
1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 65208916
2-[(4-Methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
CID 71988924

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (CID 102848075) is 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is CCN(CC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The InChIKey is LLJSSJSRLCEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-9,11-12H2,1H3.
What are the key properties of 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 102848075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).