4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile

C14H22N2O — CID 114244726

IUPAC4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile
SMILESN#CC1(NCC2CC2)CCCC12CCOCC2
InChIInChI=1S/C14H22N2O/c15-11-14(16-10-12-2-3-12)5-1-4-13(14)6-8-17-9-7-13/h12,16H,1-10H2
InChIKeyDVGGBBAODHUPHD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds3

About 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile

4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile (PubChem CID 114244726) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile
PubChem CID114244726
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile
SMILESN#CC1(NCC2CC2)CCCC12CCOCC2
InChIInChI=1S/C14H22N2O/c15-11-14(16-10-12-2-3-12)5-1-4-13(14)6-8-17-9-7-13/h12,16H,1-10H2
InChIKeyDVGGBBAODHUPHD-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(methylamino)spiro[4.5]decane-10-carbonitrile
CID 130592844
[4-(cyclobutylmethylamino)oxan-4-yl]methanol
CID 103713933
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
[4-(cyclooctylmethylamino)oxan-4-yl]methanol
CID 114207828
3-(cyclopropylmethylamino)-1,1-dioxothiane-3-carbonitrile
CID 63922865
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile
CID 114244831
[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
CID 63333038
1-(cyclopropylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82853593
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
CID 115245088
3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 60996212
3-(cyclopropylmethylamino)-5-methylthiolane-3-carbonitrile
CID 79950235

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile?
The IUPAC name of 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile (CID 114244726) is 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile.
What is the SMILES notation for 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile?
The canonical SMILES for 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile is N#CC1(NCC2CC2)CCCC12CCOCC2.
What is the InChIKey of 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile?
The InChIKey is DVGGBBAODHUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-11-14(16-10-12-2-3-12)5-1-4-13(14)6-8-17-9-7-13/h12,16H,1-10H2.
What are the key properties of 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile?
4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-8-oxaspiro[4.5]decane-4-carbonitrile is sourced from PubChem (CID 114244726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).