2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine

C5H13N3O2 — CID 62482690

IUPAC2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine
SMILESCC(O)CN(C)/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-4(9)3-8(2)5(6)7-10/h4,9-10H,3H2,1-2H3,(H2,6,7)
InChIKeyPMNAZVMJBOQALT-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.00
Rot. Bonds2

About 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine

2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine (PubChem CID 62482690) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine
PubChem CID62482690
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine
SMILESCC(O)CN(C)/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-4(9)3-8(2)5(6)7-10/h4,9-10H,3H2,1-2H3,(H2,6,7)
InChIKeyPMNAZVMJBOQALT-UHFFFAOYSA-N
XLogP-1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
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

carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium
CID 91865840
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76915169
1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 62482069
(2S)-2-amino-5-[[(E)-N'-hydroxycarbamimidoyl]-methylamino]pentanoic acid;dihydrochloride
CID 24787823
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine?
The IUPAC name of 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine (CID 62482690) is 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine?
The canonical SMILES for 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine is CC(O)CN(C)/C(N)=N/O.
What is the InChIKey of 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine?
The InChIKey is PMNAZVMJBOQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-4(9)3-8(2)5(6)7-10/h4,9-10H,3H2,1-2H3,(H2,6,7).
What are the key properties of 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine?
2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine has a molecular weight of 147.18 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine is sourced from PubChem (CID 62482690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).