1,2-bis(3-hydroxypropyl)guanidine

C7H17N3O2 — CID 23103930

IUPAC1,2-bis(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NCCCO
InChIInChI=1S/C7H17N3O2/c8-7(9-3-1-5-11)10-4-2-6-12/h11-12H,1-6H2,(H3,8,9,10)
InChIKeyPTGLJXBZXFEQKV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.34
Rot. Bonds6

About 1,2-bis(3-hydroxypropyl)guanidine

1,2-bis(3-hydroxypropyl)guanidine (PubChem CID 23103930) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,2-bis(3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-hydroxypropyl)guanidine
PubChem CID23103930
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1,2-bis(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NCCCO
InChIInChI=1S/C7H17N3O2/c8-7(9-3-1-5-11)10-4-2-6-12/h11-12H,1-6H2,(H3,8,9,10)
InChIKeyPTGLJXBZXFEQKV-UHFFFAOYSA-N
XLogP-1.34
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
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'}

Analyze 1,2-bis(3-hydroxypropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Hydroxybutyl)-N''-methylguanidine
CID 23103952
2-Amino-3,4,5,6-tetrahydro-4-pyrimidinol
CID 13809572
4-hydroxytetrahydropyrimidin-2(1H)-iminium
CID 90642918
2-(2,2-Difluoro-3-hydroxypropyl)-1-propylguanidine
CID 104858998
1-[2-(Hydroxymethyl)butyl]-2-methylguanidine
CID 21043785
1,2-Bis(2-hydroxypropyl)guanidine
CID 23103908
1-(3-Hydroxypropyl)-2-methylguanidine
CID 23103990
1,2-Bis(4-hydroxybutyl)guanidine
CID 23104019
3-(4,5-dihydro-1H-imidazol-2-ylamino)propan-1-ol
CID 55219146
1-(2-Hydroxyethyl)-2-methyl-3-propylguanidine
CID 58747081
2-(3-Hydroxypropyl)-1,3-di(propan-2-yl)guanidine
CID 118456471
3-(1,4,5,6-Tetrahydropyrimidin-2-ylamino)propan-1-ol
CID 123417636

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-hydroxypropyl)guanidine?
The IUPAC name of 1,2-bis(3-hydroxypropyl)guanidine (CID 23103930) is 1,2-bis(3-hydroxypropyl)guanidine.
What is the SMILES notation for 1,2-bis(3-hydroxypropyl)guanidine?
The canonical SMILES for 1,2-bis(3-hydroxypropyl)guanidine is N/C(=N\CCCO)NCCCO.
What is the InChIKey of 1,2-bis(3-hydroxypropyl)guanidine?
The InChIKey is PTGLJXBZXFEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c8-7(9-3-1-5-11)10-4-2-6-12/h11-12H,1-6H2,(H3,8,9,10).
What are the key properties of 1,2-bis(3-hydroxypropyl)guanidine?
1,2-bis(3-hydroxypropyl)guanidine has a molecular weight of 175.23 g/mol, XLogP of -1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-hydroxypropyl)guanidine is sourced from PubChem (CID 23103930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).