1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine

C7H17N3O2 — CID 103975187

IUPAC1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCOCCO
InChIInChI=1S/C7H17N3O2/c1-9-7(8)10-3-2-5-12-6-4-11/h11H,2-6H2,1H3,(H3,8,9,10)
InChIKeyLWHNGKNONFTXKG-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.08
Rot. Bonds6

About 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine

1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine (PubChem CID 103975187) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine
PubChem CID103975187
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCOCCO
InChIInChI=1S/C7H17N3O2/c1-9-7(8)10-3-2-5-12-6-4-11/h11H,2-6H2,1H3,(H3,8,9,10)
InChIKeyLWHNGKNONFTXKG-UHFFFAOYSA-N
XLogP-1.08
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine 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-(3-butoxypropyl)-2-methylguanidine
CID 23103881
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
1-butyl-2-methylguanidine;propane
CID 163254942
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 62406047
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
CID 123137828
9H-fluoren-9-ylmethyl (3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-6-[(N'-methylcarbamimidoyl)amino]hexanoate
CID 158622214
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
1-(3-butoxypropyl)-2,3-dimethylguanidine
CID 110914191
N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114171186

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine (CID 103975187) is 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine is C/N=C(\N)NCCCOCCO.
What is the InChIKey of 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine?
The InChIKey is LWHNGKNONFTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-9-7(8)10-3-2-5-12-6-4-11/h11H,2-6H2,1H3,(H3,8,9,10).
What are the key properties of 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine?
1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine has a molecular weight of 175.23 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 103975187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).