3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine

C9H20N4O — CID 104882236

IUPAC3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
SMILESC/N=C(\NN)N(C)CC1CCCOC1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13(2)6-8-4-3-5-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyFTZVXUDMDNMZSY-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.21
Rot. Bonds2

About 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine

3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine (PubChem CID 104882236) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
PubChem CID104882236
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
SMILESC/N=C(\NN)N(C)CC1CCCOC1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13(2)6-8-4-3-5-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyFTZVXUDMDNMZSY-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 104886264
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
1,2-dimethyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109381536
3-(2,2-difluoroethyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386509
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
3-[(2-tert-butyloxan-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386481
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386507
1,2-dimethyl-3-(2-methylsulfanylethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382973
3-(3-fluoropropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384464
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine (CID 104882236) is 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine is C/N=C(\NN)N(C)CC1CCCOC1.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine?
The InChIKey is FTZVXUDMDNMZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(12-10)13(2)6-8-4-3-5-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine?
3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine is sourced from PubChem (CID 104882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).