tridec-6-yn-1-amine

C13H25N — CID 15707496

IUPACtridec-6-yn-1-amine
SMILESCCCCCCC#CCCCCCN
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-6,9-14H2,1H3
InChIKeyGVXQZWYFMHUILT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.48
Rot. Bonds8

About tridec-6-yn-1-amine

tridec-6-yn-1-amine (PubChem CID 15707496) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is tridec-6-yn-1-amine.

Molecular Properties

Compound Nametridec-6-yn-1-amine
PubChem CID15707496
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nametridec-6-yn-1-amine
SMILESCCCCCCC#CCCCCCN
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-6,9-14H2,1H3
InChIKeyGVXQZWYFMHUILT-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadec-5-yn-1-amine
CID 87547791
dodec-4-yn-1-amine
CID 15707491
henicos-8-yne
CID 22224321
non-6-yn-1-amine
CID 87675821
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of tridec-6-yn-1-amine?
The IUPAC name of tridec-6-yn-1-amine (CID 15707496) is tridec-6-yn-1-amine.
What is the SMILES notation for tridec-6-yn-1-amine?
The canonical SMILES for tridec-6-yn-1-amine is CCCCCCC#CCCCCCN.
What is the InChIKey of tridec-6-yn-1-amine?
The InChIKey is GVXQZWYFMHUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-6,9-14H2,1H3.
What are the key properties of tridec-6-yn-1-amine?
tridec-6-yn-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-6-yn-1-amine is sourced from PubChem (CID 15707496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).