2-(3-hydroxypropyl)guanidine;hydrochloride

C4H12ClN3O — CID 118321819

IUPAC2-(3-hydroxypropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCO
InChIInChI=1S/C4H11N3O.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H
InChIKeyCZFWTGIUKUPGAI-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.94
Rot. Bonds3

About 2-(3-hydroxypropyl)guanidine;hydrochloride

2-(3-hydroxypropyl)guanidine;hydrochloride (PubChem CID 118321819) has the molecular formula C4H12ClN3O and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(3-hydroxypropyl)guanidine;hydrochloride
PubChem CID118321819
Molecular FormulaC4H12ClN3O
Molecular Weight153.61 g/mol
Exact Mass153.07
IUPAC Name2-(3-hydroxypropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCO
InChIInChI=1S/C4H11N3O.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H
InChIKeyCZFWTGIUKUPGAI-UHFFFAOYSA-N
XLogP-0.94
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.94
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'}

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Related Compounds

2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(4-aminobutyl)guanidine
CID 22560045
2-(3-hydroxypropyl)-1-methylideneguanidine
CID 142917146
2-(4-iodobutyl)guanidine
CID 155000477
N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
CID 142097612
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
2-pent-4-ynylguanidine
CID 103696922
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
2-(4-cyanobutyl)guanidine
CID 131086878

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)guanidine;hydrochloride?
The IUPAC name of 2-(3-hydroxypropyl)guanidine;hydrochloride (CID 118321819) is 2-(3-hydroxypropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(3-hydroxypropyl)guanidine;hydrochloride?
The canonical SMILES for 2-(3-hydroxypropyl)guanidine;hydrochloride is Cl.NC(N)=NCCCO.
What is the InChIKey of 2-(3-hydroxypropyl)guanidine;hydrochloride?
The InChIKey is CZFWTGIUKUPGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.ClH/c5-4(6)7-2-1-3-8;/h8H,1-3H2,(H4,5,6,7);1H.
What are the key properties of 2-(3-hydroxypropyl)guanidine;hydrochloride?
2-(3-hydroxypropyl)guanidine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)guanidine;hydrochloride is sourced from PubChem (CID 118321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).