1-amino-2-ethyl-3-propan-2-ylguanidine

C6H16N4 — CID 19743615

IUPAC1-amino-2-ethyl-3-propan-2-ylguanidine
SMILESCC/N=C(\NN)NC(C)C
InChIInChI=1S/C6H16N4/c1-4-8-6(10-7)9-5(2)3/h5H,4,7H2,1-3H3,(H2,8,9,10)
InChIKeyIDAGUAOCNBFARD-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.18
Rot. Bonds2

About 1-amino-2-ethyl-3-propan-2-ylguanidine

1-amino-2-ethyl-3-propan-2-ylguanidine (PubChem CID 19743615) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-propan-2-ylguanidine
PubChem CID19743615
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-amino-2-ethyl-3-propan-2-ylguanidine
SMILESCC/N=C(\NN)NC(C)C
InChIInChI=1S/C6H16N4/c1-4-8-6(10-7)9-5(2)3/h5H,4,7H2,1-3H3,(H2,8,9,10)
InChIKeyIDAGUAOCNBFARD-UHFFFAOYSA-N
XLogP-0.18
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
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 1-amino-2-ethyl-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-ethyl-3-propan-2-ylguanidine (CID 19743615) is 1-amino-2-ethyl-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-ethyl-3-propan-2-ylguanidine is CC/N=C(\NN)NC(C)C.
What is the InChIKey of 1-amino-2-ethyl-3-propan-2-ylguanidine?
The InChIKey is IDAGUAOCNBFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-4-8-6(10-7)9-5(2)3/h5H,4,7H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-amino-2-ethyl-3-propan-2-ylguanidine?
1-amino-2-ethyl-3-propan-2-ylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-propan-2-ylguanidine is sourced from PubChem (CID 19743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).