2-pent-4-ynylguanidine

C6H11N3 — CID 103696922

IUPAC2-pent-4-ynylguanidine
SMILESC#CCCCN=C(N)N
InChIInChI=1S/C6H11N3/c1-2-3-4-5-9-6(7)8/h1H,3-5H2,(H4,7,8,9)
InChIKeyOGDDJYMEILMUIY-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.33
Rot. Bonds3

About 2-pent-4-ynylguanidine

2-pent-4-ynylguanidine (PubChem CID 103696922) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-pent-4-ynylguanidine.

Molecular Properties

Compound Name2-pent-4-ynylguanidine
PubChem CID103696922
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-pent-4-ynylguanidine
SMILESC#CCCCN=C(N)N
InChIInChI=1S/C6H11N3/c1-2-3-4-5-9-6(7)8/h1H,3-5H2,(H4,7,8,9)
InChIKeyOGDDJYMEILMUIY-UHFFFAOYSA-N
XLogP-0.33
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-hex-5-ynylguanidine
CID 106213940
2-(4-cyanobutyl)guanidine
CID 131086878
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(2-prop-2-ynoxyethyl)guanidine
CID 130976126
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-(4-aminobutyl)guanidine
CID 22560045
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
2-(4-iodobutyl)guanidine
CID 155000477
hept-6-ynimidamide
CID 13205709
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-ynylguanidine?
The IUPAC name of 2-pent-4-ynylguanidine (CID 103696922) is 2-pent-4-ynylguanidine.
What is the SMILES notation for 2-pent-4-ynylguanidine?
The canonical SMILES for 2-pent-4-ynylguanidine is C#CCCCN=C(N)N.
What is the InChIKey of 2-pent-4-ynylguanidine?
The InChIKey is OGDDJYMEILMUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-4-5-9-6(7)8/h1H,3-5H2,(H4,7,8,9).
What are the key properties of 2-pent-4-ynylguanidine?
2-pent-4-ynylguanidine has a molecular weight of 125.17 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynylguanidine is sourced from PubChem (CID 103696922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).