icosa-1,3,5,7-tetraen-1-amine

C20H35N — CID 88737377

IUPACicosa-1,3,5,7-tetraen-1-amine
SMILESCCCCCCCCCCCCC=CC=CC=CC=CN
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h13-20H,2-12,21H2,1H3
InChIKeyCPTSSNLHKZKHKJ-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.44
Rot. Bonds14

About icosa-1,3,5,7-tetraen-1-amine

icosa-1,3,5,7-tetraen-1-amine (PubChem CID 88737377) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is icosa-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Nameicosa-1,3,5,7-tetraen-1-amine
PubChem CID88737377
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Nameicosa-1,3,5,7-tetraen-1-amine
SMILESCCCCCCCCCCCCC=CC=CC=CC=CN
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h13-20H,2-12,21H2,1H3
InChIKeyCPTSSNLHKZKHKJ-UHFFFAOYSA-N
XLogP6.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of icosa-1,3,5,7-tetraen-1-amine?
The IUPAC name of icosa-1,3,5,7-tetraen-1-amine (CID 88737377) is icosa-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for icosa-1,3,5,7-tetraen-1-amine?
The canonical SMILES for icosa-1,3,5,7-tetraen-1-amine is CCCCCCCCCCCCC=CC=CC=CC=CN.
What is the InChIKey of icosa-1,3,5,7-tetraen-1-amine?
The InChIKey is CPTSSNLHKZKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h13-20H,2-12,21H2,1H3.
What are the key properties of icosa-1,3,5,7-tetraen-1-amine?
icosa-1,3,5,7-tetraen-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.44, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 88737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).