7-phenyl-N-(2-phenylethyl)heptan-1-amine

C21H29N — CID 18790283

IUPAC7-phenyl-N-(2-phenylethyl)heptan-1-amine
SMILESc1ccc(CCCCCCCNCCc2ccccc2)cc1
InChIInChI=1S/C21H29N/c1(2-6-12-20-13-7-4-8-14-20)3-11-18-22-19-17-21-15-9-5-10-16-21/h4-5,7-10,13-16,22H,1-3,6,11-12,17-19H2
InChIKeyXXEDHCIBGABMBJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.01
Rot. Bonds11

About 7-phenyl-N-(2-phenylethyl)heptan-1-amine

7-phenyl-N-(2-phenylethyl)heptan-1-amine (PubChem CID 18790283) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 7-phenyl-N-(2-phenylethyl)heptan-1-amine.

Molecular Properties

Compound Name7-phenyl-N-(2-phenylethyl)heptan-1-amine
PubChem CID18790283
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name7-phenyl-N-(2-phenylethyl)heptan-1-amine
SMILESc1ccc(CCCCCCCNCCc2ccccc2)cc1
InChIInChI=1S/C21H29N/c1(2-6-12-20-13-7-4-8-14-20)3-11-18-22-19-17-21-15-9-5-10-16-21/h4-5,7-10,13-16,22H,1-3,6,11-12,17-19H2
InChIKeyXXEDHCIBGABMBJ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-(2-phenylethyl)heptan-1-amine?
The IUPAC name of 7-phenyl-N-(2-phenylethyl)heptan-1-amine (CID 18790283) is 7-phenyl-N-(2-phenylethyl)heptan-1-amine.
What is the SMILES notation for 7-phenyl-N-(2-phenylethyl)heptan-1-amine?
The canonical SMILES for 7-phenyl-N-(2-phenylethyl)heptan-1-amine is c1ccc(CCCCCCCNCCc2ccccc2)cc1.
What is the InChIKey of 7-phenyl-N-(2-phenylethyl)heptan-1-amine?
The InChIKey is XXEDHCIBGABMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1(2-6-12-20-13-7-4-8-14-20)3-11-18-22-19-17-21-15-9-5-10-16-21/h4-5,7-10,13-16,22H,1-3,6,11-12,17-19H2.
What are the key properties of 7-phenyl-N-(2-phenylethyl)heptan-1-amine?
7-phenyl-N-(2-phenylethyl)heptan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(2-phenylethyl)heptan-1-amine is sourced from PubChem (CID 18790283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).