undeca-2,5-diyn-1-amine

C11H17N — CID 19090953

IUPACundeca-2,5-diyn-1-amine
SMILESCCCCCC#CCC#CCN
InChIInChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5,8,11-12H2,1H3
InChIKeyZUHGTBWZCYSYKV-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.92
Rot. Bonds3

About undeca-2,5-diyn-1-amine

undeca-2,5-diyn-1-amine (PubChem CID 19090953) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is undeca-2,5-diyn-1-amine.

Molecular Properties

Compound Nameundeca-2,5-diyn-1-amine
PubChem CID19090953
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameundeca-2,5-diyn-1-amine
SMILESCCCCCC#CCC#CCN
InChIInChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5,8,11-12H2,1H3
InChIKeyZUHGTBWZCYSYKV-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.92
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

icosa-5,8,11-triyne
CID 139696043
heptadeca-4,7,10-triyne
CID 171715223
henicos-8-yne
CID 22224321
tridec-6-yn-1-amine
CID 15707496
dodec-4-yn-1-amine
CID 15707491
octadec-5-yn-1-amine
CID 87547791
16-chlorohexadeca-6,9-diyne
CID 15606230
henicosa-3,6,9-triyn-1-ol
CID 23255046
dodeca-4,7-diyne
CID 173074460
deca-1,4-diynyl(trimethyl)silane
CID 11031014
1-methoxyundeca-2,5-diyne
CID 15141027
trimethyl(undeca-1,4-diynyl)silane
CID 11345045

Frequently Asked Questions

What is the IUPAC name of undeca-2,5-diyn-1-amine?
The IUPAC name of undeca-2,5-diyn-1-amine (CID 19090953) is undeca-2,5-diyn-1-amine.
What is the SMILES notation for undeca-2,5-diyn-1-amine?
The canonical SMILES for undeca-2,5-diyn-1-amine is CCCCCC#CCC#CCN.
What is the InChIKey of undeca-2,5-diyn-1-amine?
The InChIKey is ZUHGTBWZCYSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5,8,11-12H2,1H3.
What are the key properties of undeca-2,5-diyn-1-amine?
undeca-2,5-diyn-1-amine has a molecular weight of 163.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-2,5-diyn-1-amine is sourced from PubChem (CID 19090953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).