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

C8H20N4 — CID 104881987

IUPAC3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-7(2)6-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyPIBBDJPWGMOWKV-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.41
Rot. Bonds3

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

3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine (PubChem CID 104881987) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine
PubChem CID104881987
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-7(2)6-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyPIBBDJPWGMOWKV-UHFFFAOYSA-N
XLogP0.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine (CID 104881987) is 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine is CCC(C)CN(C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine?
The InChIKey is PIBBDJPWGMOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-5-7(2)6-12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine?
3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(2-methylbutyl)guanidine is sourced from PubChem (CID 104881987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).