2,6-di(cycloheptyl)aniline

C20H31N — CID 156891849

IUPAC2,6-di(cycloheptyl)aniline
SMILESNc1c(C2CCCCCC2)cccc1C1CCCCCC1
InChIInChI=1S/C20H31N/c21-20-18(16-10-5-1-2-6-11-16)14-9-15-19(20)17-12-7-3-4-8-13-17/h9,14-17H,1-8,10-13,21H2
InChIKeySZLWYXBUMMVVNP-UHFFFAOYSA-N
MW285.47 g/mol
LogP6.14
Rot. Bonds2

About 2,6-di(cycloheptyl)aniline

2,6-di(cycloheptyl)aniline (PubChem CID 156891849) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 2,6-di(cycloheptyl)aniline.

Molecular Properties

Compound Name2,6-di(cycloheptyl)aniline
PubChem CID156891849
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name2,6-di(cycloheptyl)aniline
SMILESNc1c(C2CCCCCC2)cccc1C1CCCCCC1
InChIInChI=1S/C20H31N/c21-20-18(16-10-5-1-2-6-11-16)14-9-15-19(20)17-12-7-3-4-8-13-17/h9,14-17H,1-8,10-13,21H2
InChIKeySZLWYXBUMMVVNP-UHFFFAOYSA-N
XLogP6.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-di(cyclobutyl)aniline
CID 172550384
2,6-dicyclopropylaniline
CID 129249080
2-amino-6-cyclohexylbenzonitrile
CID 129240388
4-cycloheptyl-3-cyclooctylaniline
CID 170224279
2-bromo-6-cyclopropylaniline
CID 155970280
1,2,4,5-tetrakis(2,6-dicyclohexylphenyl)benzene
CID 176589303
2-cyclobutyl-6-methylsulfonylaniline
CID 156805851
2-cyclododecylphenol
CID 22381643
(2,3-dichlorophenyl)cycloheptane
CID 166869288
(2,3-dimethylphenyl)cyclodecane
CID 21161883
2,3-dicyclohexylbenzenethiol
CID 22497850
CID 173153342
CID 173153342

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cycloheptyl)aniline?
The IUPAC name of 2,6-di(cycloheptyl)aniline (CID 156891849) is 2,6-di(cycloheptyl)aniline.
What is the SMILES notation for 2,6-di(cycloheptyl)aniline?
The canonical SMILES for 2,6-di(cycloheptyl)aniline is Nc1c(C2CCCCCC2)cccc1C1CCCCCC1.
What is the InChIKey of 2,6-di(cycloheptyl)aniline?
The InChIKey is SZLWYXBUMMVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c21-20-18(16-10-5-1-2-6-11-16)14-9-15-19(20)17-12-7-3-4-8-13-17/h9,14-17H,1-8,10-13,21H2.
What are the key properties of 2,6-di(cycloheptyl)aniline?
2,6-di(cycloheptyl)aniline has a molecular weight of 285.47 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cycloheptyl)aniline is sourced from PubChem (CID 156891849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).