2,3-dicyclohexyl-N,N-dimethylaniline

C20H31N — CID 175316009

IUPAC2,3-dicyclohexyl-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C20H31N/c1-21(2)19-15-9-14-18(16-10-5-3-6-11-16)20(19)17-12-7-4-8-13-17/h9,14-17H,3-8,10-13H2,1-2H3
InChIKeyXNOZTCJFDOMMCV-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.85
Rot. Bonds3

About 2,3-dicyclohexyl-N,N-dimethylaniline

2,3-dicyclohexyl-N,N-dimethylaniline (PubChem CID 175316009) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 2,3-dicyclohexyl-N,N-dimethylaniline.

Molecular Properties

Compound Name2,3-dicyclohexyl-N,N-dimethylaniline
PubChem CID175316009
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name2,3-dicyclohexyl-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C20H31N/c1-21(2)19-15-9-14-18(16-10-5-3-6-11-16)20(19)17-12-7-4-8-13-17/h9,14-17H,3-8,10-13H2,1-2H3
InChIKeyXNOZTCJFDOMMCV-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2,3-tricyclohexyl-4-methylbenzene
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[4-cyclohexyl-3-(dimethylamino)phenyl]methanol
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CID 21161883
2,3-dicyclohexylphenol;4-phenylphenol
CID 68975565
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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclohexyl-N,N-dimethylaniline?
The IUPAC name of 2,3-dicyclohexyl-N,N-dimethylaniline (CID 175316009) is 2,3-dicyclohexyl-N,N-dimethylaniline.
What is the SMILES notation for 2,3-dicyclohexyl-N,N-dimethylaniline?
The canonical SMILES for 2,3-dicyclohexyl-N,N-dimethylaniline is CN(C)c1cccc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-N,N-dimethylaniline?
The InChIKey is XNOZTCJFDOMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-21(2)19-15-9-14-18(16-10-5-3-6-11-16)20(19)17-12-7-4-8-13-17/h9,14-17H,3-8,10-13H2,1-2H3.
What are the key properties of 2,3-dicyclohexyl-N,N-dimethylaniline?
2,3-dicyclohexyl-N,N-dimethylaniline has a molecular weight of 285.47 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-N,N-dimethylaniline is sourced from PubChem (CID 175316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).