1-amino-2-hex-5-ynylguanidine

C7H14N4 — CID 106213940

IUPAC1-amino-2-hex-5-ynylguanidine
SMILESC#CCCCC/N=C(\N)NN
InChIInChI=1S/C7H14N4/c1-2-3-4-5-6-10-7(8)11-9/h1H,3-6,9H2,(H3,8,10,11)
InChIKeyTWCITHFWIQOEGZ-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.43
Rot. Bonds4

About 1-amino-2-hex-5-ynylguanidine

1-amino-2-hex-5-ynylguanidine (PubChem CID 106213940) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-amino-2-hex-5-ynylguanidine.

Molecular Properties

Compound Name1-amino-2-hex-5-ynylguanidine
PubChem CID106213940
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-amino-2-hex-5-ynylguanidine
SMILESC#CCCCC/N=C(\N)NN
InChIInChI=1S/C7H14N4/c1-2-3-4-5-6-10-7(8)11-9/h1H,3-6,9H2,(H3,8,10,11)
InChIKeyTWCITHFWIQOEGZ-UHFFFAOYSA-N
XLogP-0.43
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-hex-5-ynylguanidine
CID 103757239
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
2-pent-4-ynylguanidine
CID 103696922
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
1-hex-5-ynyl-2-methylguanidine
CID 103756733
1-amino-2-propylguanidine;hydrochloride
CID 173441996
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
1-amino-2-(3-butoxypropyl)guanidine
CID 104864981
heptatriaconta-1,36-diyne
CID 58527209
trideca-1,12-diyne
CID 13119526

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hex-5-ynylguanidine?
The IUPAC name of 1-amino-2-hex-5-ynylguanidine (CID 106213940) is 1-amino-2-hex-5-ynylguanidine.
What is the SMILES notation for 1-amino-2-hex-5-ynylguanidine?
The canonical SMILES for 1-amino-2-hex-5-ynylguanidine is C#CCCCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-hex-5-ynylguanidine?
The InChIKey is TWCITHFWIQOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-4-5-6-10-7(8)11-9/h1H,3-6,9H2,(H3,8,10,11).
What are the key properties of 1-amino-2-hex-5-ynylguanidine?
1-amino-2-hex-5-ynylguanidine has a molecular weight of 154.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hex-5-ynylguanidine is sourced from PubChem (CID 106213940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).