1-(pentylideneamino)guanidine

C6H14N4 — CID 176526771

IUPAC1-(pentylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCCCC
InChIInChI=1S/C6H14N4/c1-2-3-4-5-9-10-6(7)8/h5H,2-4H2,1H3,(H4,7,8,10)
InChIKeyULISPSOSDWOAPQ-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.65
Rot. Bonds4

About 1-(pentylideneamino)guanidine

1-(pentylideneamino)guanidine (PubChem CID 176526771) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-(pentylideneamino)guanidine.

Molecular Properties

Compound Name1-(pentylideneamino)guanidine
PubChem CID176526771
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-(pentylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCCCC
InChIInChI=1S/C6H14N4/c1-2-3-4-5-9-10-6(7)8/h5H,2-4H2,1H3,(H4,7,8,10)
InChIKeyULISPSOSDWOAPQ-UHFFFAOYSA-N
XLogP0.65
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pentylideneamino)guanidine?
The IUPAC name of 1-(pentylideneamino)guanidine (CID 176526771) is 1-(pentylideneamino)guanidine.
What is the SMILES notation for 1-(pentylideneamino)guanidine?
The canonical SMILES for 1-(pentylideneamino)guanidine is [H]/N=C(\N)NN=CCCCC.
What is the InChIKey of 1-(pentylideneamino)guanidine?
The InChIKey is ULISPSOSDWOAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-2-3-4-5-9-10-6(7)8/h5H,2-4H2,1H3,(H4,7,8,10).
What are the key properties of 1-(pentylideneamino)guanidine?
1-(pentylideneamino)guanidine has a molecular weight of 142.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylideneamino)guanidine is sourced from PubChem (CID 176526771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).