ethane;1-methoxy-2-(4-methylpentyl)guanidine

C10H25N3O — CID 142431870

IUPACethane;1-methoxy-2-(4-methylpentyl)guanidine
SMILESCC.CON/C(N)=N/CCCC(C)C
InChIInChI=1S/C8H19N3O.C2H6/c1-7(2)5-4-6-10-8(9)11-12-3;1-2/h7H,4-6H2,1-3H3,(H3,9,10,11);1-2H3
InChIKeyGARMHZZTNNKWRS-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.91
Rot. Bonds5

About ethane;1-methoxy-2-(4-methylpentyl)guanidine

ethane;1-methoxy-2-(4-methylpentyl)guanidine (PubChem CID 142431870) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;1-methoxy-2-(4-methylpentyl)guanidine.

Molecular Properties

Compound Nameethane;1-methoxy-2-(4-methylpentyl)guanidine
PubChem CID142431870
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Nameethane;1-methoxy-2-(4-methylpentyl)guanidine
SMILESCC.CON/C(N)=N/CCCC(C)C
InChIInChI=1S/C8H19N3O.C2H6/c1-7(2)5-4-6-10-8(9)11-12-3;1-2/h7H,4-6H2,1-3H3,(H3,9,10,11);1-2H3
InChIKeyGARMHZZTNNKWRS-UHFFFAOYSA-N
XLogP1.91
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 ethane;1-methoxy-2-(4-methylpentyl)guanidine?
The IUPAC name of ethane;1-methoxy-2-(4-methylpentyl)guanidine (CID 142431870) is ethane;1-methoxy-2-(4-methylpentyl)guanidine.
What is the SMILES notation for ethane;1-methoxy-2-(4-methylpentyl)guanidine?
The canonical SMILES for ethane;1-methoxy-2-(4-methylpentyl)guanidine is CC.CON/C(N)=N/CCCC(C)C.
What is the InChIKey of ethane;1-methoxy-2-(4-methylpentyl)guanidine?
The InChIKey is GARMHZZTNNKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.C2H6/c1-7(2)5-4-6-10-8(9)11-12-3;1-2/h7H,4-6H2,1-3H3,(H3,9,10,11);1-2H3.
What are the key properties of ethane;1-methoxy-2-(4-methylpentyl)guanidine?
ethane;1-methoxy-2-(4-methylpentyl)guanidine has a molecular weight of 203.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-(4-methylpentyl)guanidine is sourced from PubChem (CID 142431870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).