2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine

C8H18N4O — CID 77054087

IUPAC2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCN(CC1CCOCC1)C(N)=NN
InChIInChI=1S/C8H18N4O/c1-12(8(9)11-10)6-7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyMNNGKFSUHPHTHN-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.47
Rot. Bonds2

About 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine

2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine (PubChem CID 77054087) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine
PubChem CID77054087
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCN(CC1CCOCC1)C(N)=NN
InChIInChI=1S/C8H18N4O/c1-12(8(9)11-10)6-7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyMNNGKFSUHPHTHN-UHFFFAOYSA-N
XLogP-0.47
TPSA76.87 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 ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine (CID 77054087) is 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine is CN(CC1CCOCC1)C(N)=NN.
What is the InChIKey of 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The InChIKey is MNNGKFSUHPHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-12(8(9)11-10)6-7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H2,9,11).
What are the key properties of 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine?
2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-1-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 77054087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).