1,1-dimethyl-2-(3-methylbutyl)guanidine

C8H19N3 — CID 57304840

IUPAC1,1-dimethyl-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)N(C)C
InChIInChI=1S/C8H19N3/c1-7(2)5-6-10-8(9)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyZBNUSTIRUCARLG-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.91
Rot. Bonds3

About 1,1-dimethyl-2-(3-methylbutyl)guanidine

1,1-dimethyl-2-(3-methylbutyl)guanidine (PubChem CID 57304840) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(3-methylbutyl)guanidine
PubChem CID57304840
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,1-dimethyl-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)N(C)C
InChIInChI=1S/C8H19N3/c1-7(2)5-6-10-8(9)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyZBNUSTIRUCARLG-UHFFFAOYSA-N
XLogP0.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.91
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-(3-methylbutyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(3-methylbutyl)guanidine (CID 57304840) is 1,1-dimethyl-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(3-methylbutyl)guanidine is CC(C)CC/N=C(\N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-(3-methylbutyl)guanidine?
The InChIKey is ZBNUSTIRUCARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7(2)5-6-10-8(9)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 1,1-dimethyl-2-(3-methylbutyl)guanidine?
1,1-dimethyl-2-(3-methylbutyl)guanidine has a molecular weight of 157.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 57304840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).