7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine

C15H21N — CID 79330572

IUPAC7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine
SMILESCCc1ccc(C2(N)C3CCCCC32)cc1
InChIInChI=1S/C15H21N/c1-2-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,16H2,1H3
InChIKeyWZDKKKYHPNXYMG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.22
Rot. Bonds2

About 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine

7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 79330572) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine
PubChem CID79330572
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine
SMILESCCc1ccc(C2(N)C3CCCCC32)cc1
InChIInChI=1S/C15H21N/c1-2-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,16H2,1H3
InChIKeyWZDKKKYHPNXYMG-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine (CID 79330572) is 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine is CCc1ccc(C2(N)C3CCCCC32)cc1.
What is the InChIKey of 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is WZDKKKYHPNXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,16H2,1H3.
What are the key properties of 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine?
7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 215.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).