1-chloro-2-(6-hydroxyhexyl)guanidine

C7H16ClN3O — CID 118327887

IUPAC1-chloro-2-(6-hydroxyhexyl)guanidine
SMILESN/C(=N\CCCCCCO)NCl
InChIInChI=1S/C7H16ClN3O/c8-11-7(9)10-5-3-1-2-4-6-12/h12H,1-6H2,(H3,9,10,11)
InChIKeyFBWODQOWQIUTHU-UHFFFAOYSA-N
MW193.68 g/mol
LogP0.60
Rot. Bonds6

About 1-chloro-2-(6-hydroxyhexyl)guanidine

1-chloro-2-(6-hydroxyhexyl)guanidine (PubChem CID 118327887) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is 1-chloro-2-(6-hydroxyhexyl)guanidine.

Molecular Properties

Compound Name1-chloro-2-(6-hydroxyhexyl)guanidine
PubChem CID118327887
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name1-chloro-2-(6-hydroxyhexyl)guanidine
SMILESN/C(=N\CCCCCCO)NCl
InChIInChI=1S/C7H16ClN3O/c8-11-7(9)10-5-3-1-2-4-6-12/h12H,1-6H2,(H3,9,10,11)
InChIKeyFBWODQOWQIUTHU-UHFFFAOYSA-N
XLogP0.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-chloro-2-(6-hydroxyhexyl)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

1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-chloro-2-[2-(2-hydroxyethylsulfanyl)ethyl]guanidine
CID 118327771
1-chloro-2-(3-trimethoxysilylpropyl)guanidine
CID 22719274
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-chloro-2-[(2R)-2,3-dihydroxypropyl]guanidine
CID 118327824
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-ethyl-2-nonylguanidine
CID 111034740
4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70218084

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(6-hydroxyhexyl)guanidine?
The IUPAC name of 1-chloro-2-(6-hydroxyhexyl)guanidine (CID 118327887) is 1-chloro-2-(6-hydroxyhexyl)guanidine.
What is the SMILES notation for 1-chloro-2-(6-hydroxyhexyl)guanidine?
The canonical SMILES for 1-chloro-2-(6-hydroxyhexyl)guanidine is N/C(=N\CCCCCCO)NCl.
What is the InChIKey of 1-chloro-2-(6-hydroxyhexyl)guanidine?
The InChIKey is FBWODQOWQIUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN3O/c8-11-7(9)10-5-3-1-2-4-6-12/h12H,1-6H2,(H3,9,10,11).
What are the key properties of 1-chloro-2-(6-hydroxyhexyl)guanidine?
1-chloro-2-(6-hydroxyhexyl)guanidine has a molecular weight of 193.68 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(6-hydroxyhexyl)guanidine is sourced from PubChem (CID 118327887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).