2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine

C8H18N4O — CID 76993513

IUPAC2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(CN(C)C(N)=NO)C1
InChIInChI=1S/C8H18N4O/c1-11-4-3-7(5-11)6-12(2)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDRXIXUZQGPHYCI-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.43
Rot. Bonds2

About 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine

2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 76993513) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID76993513
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(CN(C)C(N)=NO)C1
InChIInChI=1S/C8H18N4O/c1-11-4-3-7(5-11)6-12(2)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDRXIXUZQGPHYCI-UHFFFAOYSA-N
XLogP-0.43
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
2-tert-butyl-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 63234380
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 79312719
(2R)-5-amino-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830868
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 76993513) is 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine is CN1CCC(CN(C)C(N)=NO)C1.
What is the InChIKey of 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is DRXIXUZQGPHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-11-4-3-7(5-11)6-12(2)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 76993513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).