octan-1-amine;N-phenylaniline

C20H30N2 — CID 68728866

IUPACoctan-1-amine;N-phenylaniline
SMILESCCCCCCCCN.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C8H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9/h1-10,13H;2-9H2,1H3
InChIKeySNYRJZZJUXWFIB-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.74
Rot. Bonds8

About octan-1-amine;N-phenylaniline

octan-1-amine;N-phenylaniline (PubChem CID 68728866) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is octan-1-amine;N-phenylaniline.

Molecular Properties

Compound Nameoctan-1-amine;N-phenylaniline
PubChem CID68728866
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Nameoctan-1-amine;N-phenylaniline
SMILESCCCCCCCCN.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C8H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9/h1-10,13H;2-9H2,1H3
InChIKeySNYRJZZJUXWFIB-UHFFFAOYSA-N
XLogP5.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of octan-1-amine;N-phenylaniline?
The IUPAC name of octan-1-amine;N-phenylaniline (CID 68728866) is octan-1-amine;N-phenylaniline.
What is the SMILES notation for octan-1-amine;N-phenylaniline?
The canonical SMILES for octan-1-amine;N-phenylaniline is CCCCCCCCN.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of octan-1-amine;N-phenylaniline?
The InChIKey is SNYRJZZJUXWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C8H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9/h1-10,13H;2-9H2,1H3.
What are the key properties of octan-1-amine;N-phenylaniline?
octan-1-amine;N-phenylaniline has a molecular weight of 298.47 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-amine;N-phenylaniline is sourced from PubChem (CID 68728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).