1-carbamimidoyl-2-(5-hydroxypentyl)guanidine

C7H17N5O — CID 176540949

IUPAC1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCO
InChIInChI=1S/C7H17N5O/c8-6(9)12-7(10)11-4-2-1-3-5-13/h13H,1-5H2,(H6,8,9,10,11,12)
InChIKeyLWYRGDVTZQHTCS-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.05
Rot. Bonds5

About 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine

1-carbamimidoyl-2-(5-hydroxypentyl)guanidine (PubChem CID 176540949) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
PubChem CID176540949
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCO
InChIInChI=1S/C7H17N5O/c8-6(9)12-7(10)11-4-2-1-3-5-13/h13H,1-5H2,(H6,8,9,10,11,12)
InChIKeyLWYRGDVTZQHTCS-UHFFFAOYSA-N
XLogP-1.05
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
CID 176522224
CID 176522224
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine (CID 176540949) is 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCCCO.
What is the InChIKey of 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine?
The InChIKey is LWYRGDVTZQHTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c8-6(9)12-7(10)11-4-2-1-3-5-13/h13H,1-5H2,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine?
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine has a molecular weight of 187.25 g/mol, XLogP of -1.05, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(5-hydroxypentyl)guanidine is sourced from PubChem (CID 176540949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).