2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile

C14H22N2O2 — CID 102930322

IUPAC2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COC2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H22N2O2/c15-6-3-13(1-2-13)11-17-12-9-14(18-10-12)4-7-16-8-5-14/h12,16H,1-5,7-11H2
InChIKeyUCNGOUXGRWDMJW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds4

About 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile

2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile (PubChem CID 102930322) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
PubChem CID102930322
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COC2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H22N2O2/c15-6-3-13(1-2-13)11-17-12-9-14(18-10-12)4-7-16-8-5-14/h12,16H,1-5,7-11H2
InChIKeyUCNGOUXGRWDMJW-UHFFFAOYSA-N
XLogP1.61
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
CID 102930141
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930085
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930291
2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
CID 102954293
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97487542
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile (CID 102930322) is 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile is N#CCC1(COC2COC3(CCNCC3)C2)CC1.
What is the InChIKey of 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile?
The InChIKey is UCNGOUXGRWDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-6-3-13(1-2-13)11-17-12-9-14(18-10-12)4-7-16-8-5-14/h12,16H,1-5,7-11H2.
What are the key properties of 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile?
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 102930322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).