N-tridecyltridecan-1-amine

C26H55N — CID 22200

IUPACN-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCNCCCCCCCCCCCCC
InChIInChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3
InChIKeyPZFYOFFTIYJCEW-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.20
Rot. Bonds24

About N-tridecyltridecan-1-amine

N-tridecyltridecan-1-amine (PubChem CID 22200) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is N-tridecyltridecan-1-amine.

Molecular Properties

Compound NameN-tridecyltridecan-1-amine
PubChem CID22200
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC NameN-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCNCCCCCCCCCCCCC
InChIInChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3
InChIKeyPZFYOFFTIYJCEW-UHFFFAOYSA-N
XLogP9.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.20
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 N-tridecyltridecan-1-amine?
The IUPAC name of N-tridecyltridecan-1-amine (CID 22200) is N-tridecyltridecan-1-amine.
What is the SMILES notation for N-tridecyltridecan-1-amine?
The canonical SMILES for N-tridecyltridecan-1-amine is CCCCCCCCCCCCCNCCCCCCCCCCCCC.
What is the InChIKey of N-tridecyltridecan-1-amine?
The InChIKey is PZFYOFFTIYJCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3.
What are the key properties of N-tridecyltridecan-1-amine?
N-tridecyltridecan-1-amine has a molecular weight of 381.73 g/mol, XLogP of 9.20, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecyltridecan-1-amine is sourced from PubChem (CID 22200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).