1-carbamimidoyl-2-(4-hydroxybutyl)guanidine

C6H15N5O — CID 176540951

IUPAC1-carbamimidoyl-2-(4-hydroxybutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCO
InChIInChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11)
InChIKeyRGBGDOHUMSLZJM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.44
Rot. Bonds4

About 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine

1-carbamimidoyl-2-(4-hydroxybutyl)guanidine (PubChem CID 176540951) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(4-hydroxybutyl)guanidine
PubChem CID176540951
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC Name1-carbamimidoyl-2-(4-hydroxybutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCO
InChIInChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11)
InChIKeyRGBGDOHUMSLZJM-UHFFFAOYSA-N
XLogP-1.44
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.44
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

4-Guanidino-1-butanol
CID 5317848
4-Guanidino-1-butanol hydrochloride
CID 118321806
1-(Diaminomethylidene)-2-(4-hydroxybutyl)guanidine
CID 23103910
(4-Azaniumyl-4-hydroxybutyl)-(diaminomethylidene)azanium
CID 58710761
1-Cyano-2-(3-hydroxypropyl)guanidine
CID 88874313
2-(4-Amino-1-hydroxybutyl)guanidine
CID 139915780
Diaminomethylidene(4-hydroxybutyl)azanium
CID 144608789
2-Butyl-1-carbamimidoylguanidine;propan-1-ol;hydrochloride
CID 176522124
1-Carbamimidoyl-2-(2-hydroxyethyl)guanidine
CID 176531763
Butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176533535
1-Carbamimidoyl-2-(3-hydroxypropyl)guanidine
CID 176540946
1-Carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine (CID 176540951) is 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCCO.
What is the InChIKey of 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine?
The InChIKey is RGBGDOHUMSLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11).
What are the key properties of 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine?
1-carbamimidoyl-2-(4-hydroxybutyl)guanidine has a molecular weight of 173.22 g/mol, XLogP of -1.44, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(4-hydroxybutyl)guanidine is sourced from PubChem (CID 176540951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).