1,1-dimethyl-2-(2-methylpropyl)guanidine

C7H17N3 — CID 62359730

IUPAC1,1-dimethyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)C
InChIInChI=1S/C7H17N3/c1-6(2)5-9-7(8)10(3)4/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyOMCPXLCRPCVLGY-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.52
Rot. Bonds2

About 1,1-dimethyl-2-(2-methylpropyl)guanidine

1,1-dimethyl-2-(2-methylpropyl)guanidine (PubChem CID 62359730) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylpropyl)guanidine
PubChem CID62359730
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,1-dimethyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)C
InChIInChI=1S/C7H17N3/c1-6(2)5-9-7(8)10(3)4/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyOMCPXLCRPCVLGY-UHFFFAOYSA-N
XLogP0.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(2-methylpropyl)guanidine (CID 62359730) is 1,1-dimethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2-methylpropyl)guanidine?
The InChIKey is OMCPXLCRPCVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(2)5-9-7(8)10(3)4/h6H,5H2,1-4H3,(H2,8,9).
What are the key properties of 1,1-dimethyl-2-(2-methylpropyl)guanidine?
1,1-dimethyl-2-(2-methylpropyl)guanidine has a molecular weight of 143.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62359730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).