pent-1-yne-1,5-diamine

C5H10N2 — CID 14768539

IUPACpent-1-yne-1,5-diamine
SMILESNC#CCCCN
InChIInChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,4,6-7H2
InChIKeyOUHSEMIYHASDOI-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.36
Rot. Bonds2

About pent-1-yne-1,5-diamine

pent-1-yne-1,5-diamine (PubChem CID 14768539) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is pent-1-yne-1,5-diamine.

Molecular Properties

Compound Namepent-1-yne-1,5-diamine
PubChem CID14768539
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namepent-1-yne-1,5-diamine
SMILESNC#CCCCN
InChIInChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,4,6-7H2
InChIKeyOUHSEMIYHASDOI-UHFFFAOYSA-N
XLogP-0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of pent-1-yne-1,5-diamine?
The IUPAC name of pent-1-yne-1,5-diamine (CID 14768539) is pent-1-yne-1,5-diamine.
What is the SMILES notation for pent-1-yne-1,5-diamine?
The canonical SMILES for pent-1-yne-1,5-diamine is NC#CCCCN.
What is the InChIKey of pent-1-yne-1,5-diamine?
The InChIKey is OUHSEMIYHASDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-2,4,6-7H2.
What are the key properties of pent-1-yne-1,5-diamine?
pent-1-yne-1,5-diamine has a molecular weight of 98.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-yne-1,5-diamine is sourced from PubChem (CID 14768539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).