cyclotridecanamine

C13H27N — CID 544650

IUPACcyclotridecanamine
SMILESNC1CCCCCCCCCCCC1
InChIInChI=1S/C13H27N/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h13H,1-12,14H2
InChIKeyUKSSFBFFNOWTQU-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.01
Rot. Bonds

About cyclotridecanamine

cyclotridecanamine (PubChem CID 544650) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is cyclotridecanamine.

Molecular Properties

Compound Namecyclotridecanamine
PubChem CID544650
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Namecyclotridecanamine
SMILESNC1CCCCCCCCCCCC1
InChIInChI=1S/C13H27N/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h13H,1-12,14H2
InChIKeyUKSSFBFFNOWTQU-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclotridecanamine?
The IUPAC name of cyclotridecanamine (CID 544650) is cyclotridecanamine.
What is the SMILES notation for cyclotridecanamine?
The canonical SMILES for cyclotridecanamine is NC1CCCCCCCCCCCC1.
What is the InChIKey of cyclotridecanamine?
The InChIKey is UKSSFBFFNOWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h13H,1-12,14H2.
What are the key properties of cyclotridecanamine?
cyclotridecanamine has a molecular weight of 197.37 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotridecanamine is sourced from PubChem (CID 544650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).