1-carbamimidoyl-2-(3-hydroxypropyl)guanidine

C5H13N5O — CID 176540946

IUPAC1-carbamimidoyl-2-(3-hydroxypropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCO
InChIInChI=1S/C5H13N5O/c6-4(7)10-5(8)9-2-1-3-11/h11H,1-3H2,(H6,6,7,8,9,10)
InChIKeyMHHFVYVQKXUFHS-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.83
Rot. Bonds3

About 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine

1-carbamimidoyl-2-(3-hydroxypropyl)guanidine (PubChem CID 176540946) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(3-hydroxypropyl)guanidine
PubChem CID176540946
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name1-carbamimidoyl-2-(3-hydroxypropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCO
InChIInChI=1S/C5H13N5O/c6-4(7)10-5(8)9-2-1-3-11/h11H,1-3H2,(H6,6,7,8,9,10)
InChIKeyMHHFVYVQKXUFHS-UHFFFAOYSA-N
XLogP-1.83
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.83
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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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine (CID 176540946) is 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCO.
What is the InChIKey of 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine?
The InChIKey is MHHFVYVQKXUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c6-4(7)10-5(8)9-2-1-3-11/h11H,1-3H2,(H6,6,7,8,9,10).
What are the key properties of 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine?
1-carbamimidoyl-2-(3-hydroxypropyl)guanidine has a molecular weight of 159.19 g/mol, XLogP of -1.83, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(3-hydroxypropyl)guanidine is sourced from PubChem (CID 176540946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).