N-benzyl-N-phenyl-1-azacyclotridecen-2-amine

C25H34N2 — CID 20509767

IUPACN-benzyl-N-phenyl-1-azacyclotridecen-2-amine
SMILESc1ccc(CN(/C2=N/CCCCCCCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C25H34N2/c1-2-4-6-14-20-25(26-21-15-7-5-3-1)27(24-18-12-9-13-19-24)22-23-16-10-8-11-17-23/h8-13,16-19H,1-7,14-15,20-22H2/b26-25+
InChIKeyANQSEEQSKNFFHG-OCEACIFDSA-N
MW362.56 g/mol
LogP7.01
Rot. Bonds3

About N-benzyl-N-phenyl-1-azacyclotridecen-2-amine

N-benzyl-N-phenyl-1-azacyclotridecen-2-amine (PubChem CID 20509767) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-benzyl-N-phenyl-1-azacyclotridecen-2-amine.

Molecular Properties

Compound NameN-benzyl-N-phenyl-1-azacyclotridecen-2-amine
PubChem CID20509767
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN-benzyl-N-phenyl-1-azacyclotridecen-2-amine
SMILESc1ccc(CN(/C2=N/CCCCCCCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C25H34N2/c1-2-4-6-14-20-25(26-21-15-7-5-3-1)27(24-18-12-9-13-19-24)22-23-16-10-8-11-17-23/h8-13,16-19H,1-7,14-15,20-22H2/b26-25+
InChIKeyANQSEEQSKNFFHG-OCEACIFDSA-N
XLogP7.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-1-azacyclotridecen-2-amine?
The IUPAC name of N-benzyl-N-phenyl-1-azacyclotridecen-2-amine (CID 20509767) is N-benzyl-N-phenyl-1-azacyclotridecen-2-amine.
What is the SMILES notation for N-benzyl-N-phenyl-1-azacyclotridecen-2-amine?
The canonical SMILES for N-benzyl-N-phenyl-1-azacyclotridecen-2-amine is c1ccc(CN(/C2=N/CCCCCCCCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-phenyl-1-azacyclotridecen-2-amine?
The InChIKey is ANQSEEQSKNFFHG-OCEACIFDSA-N. The full InChI is InChI=1S/C25H34N2/c1-2-4-6-14-20-25(26-21-15-7-5-3-1)27(24-18-12-9-13-19-24)22-23-16-10-8-11-17-23/h8-13,16-19H,1-7,14-15,20-22H2/b26-25+.
What are the key properties of N-benzyl-N-phenyl-1-azacyclotridecen-2-amine?
N-benzyl-N-phenyl-1-azacyclotridecen-2-amine has a molecular weight of 362.56 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-1-azacyclotridecen-2-amine is sourced from PubChem (CID 20509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).