4-cycloheptyl-3-cyclooctylaniline

C21H33N — CID 170224279

IUPAC4-cycloheptyl-3-cyclooctylaniline
SMILESNc1ccc(C2CCCCCC2)c(C2CCCCCCC2)c1
InChIInChI=1S/C21H33N/c22-19-14-15-20(17-10-8-4-5-9-11-17)21(16-19)18-12-6-2-1-3-7-13-18/h14-18H,1-13,22H2
InChIKeyDYDOJODKADIMST-UHFFFAOYSA-N
MW299.50 g/mol
LogP6.53
Rot. Bonds2

About 4-cycloheptyl-3-cyclooctylaniline

4-cycloheptyl-3-cyclooctylaniline (PubChem CID 170224279) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-cycloheptyl-3-cyclooctylaniline.

Molecular Properties

Compound Name4-cycloheptyl-3-cyclooctylaniline
PubChem CID170224279
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name4-cycloheptyl-3-cyclooctylaniline
SMILESNc1ccc(C2CCCCCC2)c(C2CCCCCCC2)c1
InChIInChI=1S/C21H33N/c22-19-14-15-20(17-10-8-4-5-9-11-17)21(16-19)18-12-6-2-1-3-7-13-18/h14-18H,1-13,22H2
InChIKeyDYDOJODKADIMST-UHFFFAOYSA-N
XLogP6.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.53
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

3,4-Dimethylaniline
CID 7248
4-Isopropylaniline
CID 7464
2,3-Dimethylaniline
CID 6893
4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382
4-Cyclohexylbenzenamine
CID 80764
Benzenediamine, ar,ar-diethyl-ar-methyl-
CID 18695160
4-Octylaniline
CID 85346
4-Decylaniline
CID 92309
2,2'-Dimethylbenzidine
CID 66537
3-Isopropylaniline
CID 458679
4-Dodecylaniline
CID 7701

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-3-cyclooctylaniline?
The IUPAC name of 4-cycloheptyl-3-cyclooctylaniline (CID 170224279) is 4-cycloheptyl-3-cyclooctylaniline.
What is the SMILES notation for 4-cycloheptyl-3-cyclooctylaniline?
The canonical SMILES for 4-cycloheptyl-3-cyclooctylaniline is Nc1ccc(C2CCCCCC2)c(C2CCCCCCC2)c1.
What is the InChIKey of 4-cycloheptyl-3-cyclooctylaniline?
The InChIKey is DYDOJODKADIMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N/c22-19-14-15-20(17-10-8-4-5-9-11-17)21(16-19)18-12-6-2-1-3-7-13-18/h14-18H,1-13,22H2.
What are the key properties of 4-cycloheptyl-3-cyclooctylaniline?
4-cycloheptyl-3-cyclooctylaniline has a molecular weight of 299.50 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-3-cyclooctylaniline is sourced from PubChem (CID 170224279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).