tricos-1-yn-1-amine

C23H45N — CID 87460820

IUPACtricos-1-yn-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC#CN
InChIInChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h2-21,24H2,1H3
InChIKeyOBXHINBGFCFRRT-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.73
Rot. Bonds19

About tricos-1-yn-1-amine

tricos-1-yn-1-amine (PubChem CID 87460820) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is tricos-1-yn-1-amine.

Molecular Properties

Compound Nametricos-1-yn-1-amine
PubChem CID87460820
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Nametricos-1-yn-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC#CN
InChIInChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h2-21,24H2,1H3
InChIKeyOBXHINBGFCFRRT-UHFFFAOYSA-N
XLogP7.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonacos-1-yn-1-amine
CID 87460999
triacont-1-yn-1-amine
CID 87461084
hept-1-yn-1-amine;hydrochloride
CID 176913212
hex-1-yn-1-amine
CID 15451863
henicos-8-yne
CID 22224321
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
dodec-4-yn-1-amine
CID 15707491
octadec-5-yn-1-amine
CID 87547791
tridec-6-yn-1-amine
CID 15707496
hexadeca-3,9-diyne
CID 54568863
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927

Frequently Asked Questions

What is the IUPAC name of tricos-1-yn-1-amine?
The IUPAC name of tricos-1-yn-1-amine (CID 87460820) is tricos-1-yn-1-amine.
What is the SMILES notation for tricos-1-yn-1-amine?
The canonical SMILES for tricos-1-yn-1-amine is CCCCCCCCCCCCCCCCCCCCCC#CN.
What is the InChIKey of tricos-1-yn-1-amine?
The InChIKey is OBXHINBGFCFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h2-21,24H2,1H3.
What are the key properties of tricos-1-yn-1-amine?
tricos-1-yn-1-amine has a molecular weight of 335.62 g/mol, XLogP of 7.73, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-1-yn-1-amine is sourced from PubChem (CID 87460820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).