1,2-bis(2-hydroxypropyl)guanidine

C7H17N3O2 — CID 23103908

IUPAC1,2-bis(2-hydroxypropyl)guanidine
SMILESCC(O)C/N=C(\N)NCC(C)O
InChIInChI=1S/C7H17N3O2/c1-5(11)3-9-7(8)10-4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyBPYJYIPHEGDRGD-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.35
Rot. Bonds4

About 1,2-bis(2-hydroxypropyl)guanidine

1,2-bis(2-hydroxypropyl)guanidine (PubChem CID 23103908) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,2-bis(2-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1,2-bis(2-hydroxypropyl)guanidine
PubChem CID23103908
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1,2-bis(2-hydroxypropyl)guanidine
SMILESCC(O)C/N=C(\N)NCC(C)O
InChIInChI=1S/C7H17N3O2/c1-5(11)3-9-7(8)10-4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyBPYJYIPHEGDRGD-UHFFFAOYSA-N
XLogP-1.35
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1,2-bis(2-hydroxypropyl)guanidine?
The IUPAC name of 1,2-bis(2-hydroxypropyl)guanidine (CID 23103908) is 1,2-bis(2-hydroxypropyl)guanidine.
What is the SMILES notation for 1,2-bis(2-hydroxypropyl)guanidine?
The canonical SMILES for 1,2-bis(2-hydroxypropyl)guanidine is CC(O)C/N=C(\N)NCC(C)O.
What is the InChIKey of 1,2-bis(2-hydroxypropyl)guanidine?
The InChIKey is BPYJYIPHEGDRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-5(11)3-9-7(8)10-4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of 1,2-bis(2-hydroxypropyl)guanidine?
1,2-bis(2-hydroxypropyl)guanidine has a molecular weight of 175.23 g/mol, XLogP of -1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-hydroxypropyl)guanidine is sourced from PubChem (CID 23103908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).