1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine

C10H22N4 — CID 104888583

IUPAC1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC(C)C1CC1)NN
InChIInChI=1S/C10H22N4/c1-7(2)13-10(14-11)12-6-8(3)9-4-5-9/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyCEZOSVHOMSBINL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

About 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine

1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine (PubChem CID 104888583) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
PubChem CID104888583
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC(C)C1CC1)NN
InChIInChI=1S/C10H22N4/c1-7(2)13-10(14-11)12-6-8(3)9-4-5-9/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyCEZOSVHOMSBINL-UHFFFAOYSA-N
XLogP0.85
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
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-(2-cyclopropylpropyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine (CID 104888583) is 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine is CC(C)N/C(=N\CC(C)C1CC1)NN.
What is the InChIKey of 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine?
The InChIKey is CEZOSVHOMSBINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-7(2)13-10(14-11)12-6-8(3)9-4-5-9/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine?
1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104888583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).