3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine

C11H26N4 — CID 104883501

IUPAC3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N\CC(C)C)NN
InChIInChI=1S/C11H26N4/c1-6-15(8-10(4)5)11(14-12)13-7-9(2)3/h9-10H,6-8,12H2,1-5H3,(H,13,14)
InChIKeyMCAQMFWUQQINGH-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine

3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine (PubChem CID 104883501) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
PubChem CID104883501
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N\CC(C)C)NN
InChIInChI=1S/C11H26N4/c1-6-15(8-10(4)5)11(14-12)13-7-9(2)3/h9-10H,6-8,12H2,1-5H3,(H,13,14)
InChIKeyMCAQMFWUQQINGH-UHFFFAOYSA-N
XLogP1.44
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.44
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-ethyl-1,2-bis(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine (CID 104883501) is 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine is CCN(CC(C)C)/C(=N\CC(C)C)NN.
What is the InChIKey of 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine?
The InChIKey is MCAQMFWUQQINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-6-15(8-10(4)5)11(14-12)13-7-9(2)3/h9-10H,6-8,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine?
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine has a molecular weight of 214.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 104883501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).