nona-2,4-diyn-1-amine

C9H13N — CID 15354670

IUPACnona-2,4-diyn-1-amine
SMILESCCCCC#CC#CCN
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-4,9-10H2,1H3
InChIKeyKGDHTERBGLDFDW-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.14
Rot. Bonds2

About nona-2,4-diyn-1-amine

nona-2,4-diyn-1-amine (PubChem CID 15354670) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is nona-2,4-diyn-1-amine.

Molecular Properties

Compound Namenona-2,4-diyn-1-amine
PubChem CID15354670
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Namenona-2,4-diyn-1-amine
SMILESCCCCC#CC#CCN
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-4,9-10H2,1H3
InChIKeyKGDHTERBGLDFDW-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of nona-2,4-diyn-1-amine?
The IUPAC name of nona-2,4-diyn-1-amine (CID 15354670) is nona-2,4-diyn-1-amine.
What is the SMILES notation for nona-2,4-diyn-1-amine?
The canonical SMILES for nona-2,4-diyn-1-amine is CCCCC#CC#CCN.
What is the InChIKey of nona-2,4-diyn-1-amine?
The InChIKey is KGDHTERBGLDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-4,9-10H2,1H3.
What are the key properties of nona-2,4-diyn-1-amine?
nona-2,4-diyn-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4-diyn-1-amine is sourced from PubChem (CID 15354670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).