triacont-1-yn-1-amine

C30H59N — CID 87461084

IUPACtriacont-1-yn-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC#CN
InChIInChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-28,31H2,1H3
InChIKeyPSFCCOAFZBQHKV-UHFFFAOYSA-N
MW433.81 g/mol
LogP10.46
Rot. Bonds26

About triacont-1-yn-1-amine

triacont-1-yn-1-amine (PubChem CID 87461084) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is triacont-1-yn-1-amine.

Molecular Properties

Compound Nametriacont-1-yn-1-amine
PubChem CID87461084
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC Nametriacont-1-yn-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC#CN
InChIInChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-28,31H2,1H3
InChIKeyPSFCCOAFZBQHKV-UHFFFAOYSA-N
XLogP10.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 510.46
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
tricos-1-yn-1-amine
CID 87460820
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 triacont-1-yn-1-amine?
The IUPAC name of triacont-1-yn-1-amine (CID 87461084) is triacont-1-yn-1-amine.
What is the SMILES notation for triacont-1-yn-1-amine?
The canonical SMILES for triacont-1-yn-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC#CN.
What is the InChIKey of triacont-1-yn-1-amine?
The InChIKey is PSFCCOAFZBQHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-28,31H2,1H3.
What are the key properties of triacont-1-yn-1-amine?
triacont-1-yn-1-amine has a molecular weight of 433.81 g/mol, XLogP of 10.46, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triacont-1-yn-1-amine is sourced from PubChem (CID 87461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).