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

C15H26N2O — CID 102848118

IUPAC2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile
SMILESCC(C)N(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-13(2)17(11-10-16)12-14-6-9-15(18-14)7-4-3-5-8-15/h13-14H,3-9,11-12H2,1-2H3
InChIKeyGMRSPTDQVQUUEB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds4

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

2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile (PubChem CID 102848118) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile
PubChem CID102848118
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile
SMILESCC(C)N(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-13(2)17(11-10-16)12-14-6-9-15(18-14)7-4-3-5-8-15/h13-14H,3-9,11-12H2,1-2H3
InChIKeyGMRSPTDQVQUUEB-UHFFFAOYSA-N
XLogP3.10
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.10
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,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
CID 54016731
1,4-Dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
CID 58903063
9-Propan-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 67986706
(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine
CID 170083733
1-Methyl-6-propan-2-yloxy-1-azaspiro[4.5]decane
CID 177126304
Ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 178173087
2-[Methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61431932
2-[Ethyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61434160
2-[(4-Methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
CID 71988924
2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetonitrile
CID 96068953
2-[(4-methylcyclohexyl)-[[(2R)-oxolan-2-yl]methyl]amino]acetonitrile
CID 96068954
(2R,6S)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine
CID 99832220

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile?
The IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile (CID 102848118) is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile is CC(C)N(CC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile?
The InChIKey is GMRSPTDQVQUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)17(11-10-16)12-14-6-9-15(18-14)7-4-3-5-8-15/h13-14H,3-9,11-12H2,1-2H3.
What are the key properties of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile?
2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile has a molecular weight of 250.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile is sourced from PubChem (CID 102848118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).