3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine

C18H27N — CID 68941705

IUPAC3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine
SMILESNCCCc1cccc(C=CC2CCCCCC2)c1
InChIInChI=1S/C18H27N/c19-14-6-11-17-9-5-10-18(15-17)13-12-16-7-3-1-2-4-8-16/h5,9-10,12-13,15-16H,1-4,6-8,11,14,19H2
InChIKeyORCWBXAPGMTKGI-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.56
Rot. Bonds5

About 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine

3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine (PubChem CID 68941705) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine
PubChem CID68941705
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine
SMILESNCCCc1cccc(C=CC2CCCCCC2)c1
InChIInChI=1S/C18H27N/c19-14-6-11-17-9-5-10-18(15-17)13-12-16-7-3-1-2-4-8-16/h5,9-10,12-13,15-16H,1-4,6-8,11,14,19H2
InChIKeyORCWBXAPGMTKGI-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine (CID 68941705) is 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine is NCCCc1cccc(C=CC2CCCCCC2)c1.
What is the InChIKey of 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine?
The InChIKey is ORCWBXAPGMTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c19-14-6-11-17-9-5-10-18(15-17)13-12-16-7-3-1-2-4-8-16/h5,9-10,12-13,15-16H,1-4,6-8,11,14,19H2.
What are the key properties of 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine?
3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cycloheptylethenyl)phenyl]propan-1-amine is sourced from PubChem (CID 68941705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).