tridecan-7-amine

C13H29N — CID 574991

IUPACtridecan-7-amine
SMILESCCCCCCC(N)CCCCCC
InChIInChI=1S/C13H29N/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13H,3-12,14H2,1-2H3
InChIKeyFXNJNGMYIZRQRG-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.25
Rot. Bonds10

About tridecan-7-amine

tridecan-7-amine (PubChem CID 574991) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is tridecan-7-amine.

Molecular Properties

Compound Nametridecan-7-amine
PubChem CID574991
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nametridecan-7-amine
SMILESCCCCCCC(N)CCCCCC
InChIInChI=1S/C13H29N/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13H,3-12,14H2,1-2H3
InChIKeyFXNJNGMYIZRQRG-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.25
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 tridecan-7-amine?
The IUPAC name of tridecan-7-amine (CID 574991) is tridecan-7-amine.
What is the SMILES notation for tridecan-7-amine?
The canonical SMILES for tridecan-7-amine is CCCCCCC(N)CCCCCC.
What is the InChIKey of tridecan-7-amine?
The InChIKey is FXNJNGMYIZRQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13H,3-12,14H2,1-2H3.
What are the key properties of tridecan-7-amine?
tridecan-7-amine has a molecular weight of 199.38 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-7-amine is sourced from PubChem (CID 574991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).