3-amino-1,2-dimethyl-1-pentan-3-ylguanidine

C8H20N4 — CID 104882017

IUPAC3-amino-1,2-dimethyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-7(6-2)12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyUUHZETKDUANZHA-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine

3-amino-1,2-dimethyl-1-pentan-3-ylguanidine (PubChem CID 104882017) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-pentan-3-ylguanidine
PubChem CID104882017
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name3-amino-1,2-dimethyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4/c1-5-7(6-2)12(4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyUUHZETKDUANZHA-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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-pentan-3-ylguanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine (CID 104882017) is 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine is CCC(CC)N(C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1,2-dimethyl-1-pentan-3-ylguanidine?
The InChIKey is UUHZETKDUANZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-5-7(6-2)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-pentan-3-ylguanidine?
3-amino-1,2-dimethyl-1-pentan-3-ylguanidine has a molecular weight of 172.28 g/mol, XLogP of 0.56, 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-pentan-3-ylguanidine is sourced from PubChem (CID 104882017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).