4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile

C15H17ClN2O — CID 79903296

IUPAC4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClN2O/c16-12-3-2-11(10-17)14(8-12)18-13-4-7-19-15(9-13)5-1-6-15/h2-3,8,13,18H,1,4-7,9H2
InChIKeyXMFLXSVLHMUOQX-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.73
Rot. Bonds2

About 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile

4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile (PubChem CID 79903296) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
PubChem CID79903296
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClN2O/c16-12-3-2-11(10-17)14(8-12)18-13-4-7-19-15(9-13)5-1-6-15/h2-3,8,13,18H,1,4-7,9H2
InChIKeyXMFLXSVLHMUOQX-UHFFFAOYSA-N
XLogP3.73
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
4-chloro-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817293
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
4-chloro-2-(thian-4-ylamino)benzonitrile
CID 43681711
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
3,5-difluoro-4-(1-oxaspiro[5.5]undecan-4-ylamino)benzonitrile
CID 133377939
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
CID 84589069
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile (CID 79903296) is 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile is N#Cc1ccc(Cl)cc1NC1CCOC2(CCC2)C1.
What is the InChIKey of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile?
The InChIKey is XMFLXSVLHMUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-12-3-2-11(10-17)14(8-12)18-13-4-7-19-15(9-13)5-1-6-15/h2-3,8,13,18H,1,4-7,9H2.
What are the key properties of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile?
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile has a molecular weight of 276.77 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile is sourced from PubChem (CID 79903296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).