3-amino-1,2-dimethyl-1-propylguanidine

C6H16N4 — CID 104881974

IUPAC3-amino-1,2-dimethyl-1-propylguanidine
SMILESCCCN(C)/C(=N\C)NN
InChIInChI=1S/C6H16N4/c1-4-5-10(3)6(8-2)9-7/h4-5,7H2,1-3H3,(H,8,9)
InChIKeyUDSHQBXEKJAURZ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.22
Rot. Bonds2

About 3-amino-1,2-dimethyl-1-propylguanidine

3-amino-1,2-dimethyl-1-propylguanidine (PubChem CID 104881974) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-propylguanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-propylguanidine
PubChem CID104881974
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name3-amino-1,2-dimethyl-1-propylguanidine
SMILESCCCN(C)/C(=N\C)NN
InChIInChI=1S/C6H16N4/c1-4-5-10(3)6(8-2)9-7/h4-5,7H2,1-3H3,(H,8,9)
InChIKeyUDSHQBXEKJAURZ-UHFFFAOYSA-N
XLogP-0.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.22
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-propylguanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-propylguanidine (CID 104881974) is 3-amino-1,2-dimethyl-1-propylguanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-propylguanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-propylguanidine is CCCN(C)/C(=N\C)NN.
What is the InChIKey of 3-amino-1,2-dimethyl-1-propylguanidine?
The InChIKey is UDSHQBXEKJAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-4-5-10(3)6(8-2)9-7/h4-5,7H2,1-3H3,(H,8,9).
What are the key properties of 3-amino-1,2-dimethyl-1-propylguanidine?
3-amino-1,2-dimethyl-1-propylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.22, 2 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-propylguanidine is sourced from PubChem (CID 104881974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).