2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile

C14H24N2O — CID 79903017

IUPAC2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24N2O/c1-2-9-16(10-8-15)13-5-11-17-14(12-13)6-3-4-7-14/h13H,2-7,9-12H2,1H3
InChIKeyQNYKDFKZOOOOOC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds4

About 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile

2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile (PubChem CID 79903017) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
PubChem CID79903017
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
SMILESCCCN(CC#N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24N2O/c1-2-9-16(10-8-15)13-5-11-17-14(12-13)6-3-4-7-14/h13H,2-7,9-12H2,1H3
InChIKeyQNYKDFKZOOOOOC-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

2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]acetonitrile
CID 79903096
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile?
The IUPAC name of 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile (CID 79903017) is 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile.
What is the SMILES notation for 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile?
The canonical SMILES for 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile is CCCN(CC#N)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile?
The InChIKey is QNYKDFKZOOOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-9-16(10-8-15)13-5-11-17-14(12-13)6-3-4-7-14/h13H,2-7,9-12H2,1H3.
What are the key properties of 2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile?
2-[6-oxaspiro[4.5]decan-9-yl(propyl)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-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile is sourced from PubChem (CID 79903017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).