2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine

C10H21N3O2 — CID 106101997

IUPAC2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(O)CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(2)5-12-9(11)13-6-10(14)3-4-15-7-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyQOXWLDQLVAQHLS-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.30
Rot. Bonds4

About 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine

2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine (PubChem CID 106101997) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
PubChem CID106101997
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(O)CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(2)5-12-9(11)13-6-10(14)3-4-15-7-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyQOXWLDQLVAQHLS-UHFFFAOYSA-N
XLogP-0.30
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.30
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'}

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Related Compounds

1-Cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847252
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
CID 103847253
1-Cyclopropyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847254
1-[(3-Hydroxyoxolan-3-yl)methyl]-2-methylguanidine
CID 103847255
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 104704488
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
1-Ethyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106101998
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 106101999
1-Cyclohexyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106102001

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine (CID 106101997) is 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC1(O)CCOC1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is QOXWLDQLVAQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(2)5-12-9(11)13-6-10(14)3-4-15-7-10/h8,14H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 215.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 106101997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).