2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile

C14H24N2O — CID 102897998

IUPAC2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24N2O/c1-2-10-16(11-9-15)12-13-5-8-14(17-13)6-3-4-7-14/h13H,2-8,10-12H2,1H3
InChIKeyKHCHHSXXSCVBLF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds5

About 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile

2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile (PubChem CID 102897998) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
PubChem CID102897998
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24N2O/c1-2-10-16(11-9-15)12-13-5-8-14(17-13)6-3-4-7-14/h13H,2-8,10-12H2,1H3
InChIKeyKHCHHSXXSCVBLF-UHFFFAOYSA-N
XLogP2.71
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
2,7-Dimethyl-1-oxa-7-azaspiro[4.4]nonane;ethane
CID 177994392
2-Ethyl-7-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 177995058
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
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 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile?
The IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile (CID 102897998) is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile.
What is the SMILES notation for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile?
The canonical SMILES for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile is CCCN(CC#N)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile?
The InChIKey is KHCHHSXXSCVBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-10-16(11-9-15)12-13-5-8-14(17-13)6-3-4-7-14/h13H,2-8,10-12H2,1H3.
What are the key properties of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile?
2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile is sourced from PubChem (CID 102897998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).