2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride

C7H16ClN3O — CID 139034323

IUPAC2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride
SMILESC/N=C(\N)NCC1CCOC1.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-9-7(8)10-4-6-2-3-11-5-6;/h6H,2-5H2,1H3,(H3,8,9,10);1H
InChIKeyLEMWTAXTPQJYCH-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.02
Rot. Bonds2

About 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride

2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride (PubChem CID 139034323) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride
PubChem CID139034323
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride
SMILESC/N=C(\N)NCC1CCOC1.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-9-7(8)10-4-6-2-3-11-5-6;/h6H,2-5H2,1H3,(H3,8,9,10);1H
InChIKeyLEMWTAXTPQJYCH-UHFFFAOYSA-N
XLogP-0.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride?
The IUPAC name of 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride (CID 139034323) is 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride?
The canonical SMILES for 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride is C/N=C(\N)NCC1CCOC1.Cl.
What is the InChIKey of 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride?
The InChIKey is LEMWTAXTPQJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.ClH/c1-9-7(8)10-4-6-2-3-11-5-6;/h6H,2-5H2,1H3,(H3,8,9,10);1H.
What are the key properties of 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride?
2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-ylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 139034323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).