1-cyclopropyl-1-ethyl-2-propylguanidine

C9H19N3 — CID 62359011

IUPAC1-cyclopropyl-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)C1CC1
InChIInChI=1S/C9H19N3/c1-3-7-11-9(10)12(4-2)8-5-6-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFPOWNVRUVPWNHQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.20
Rot. Bonds4

About 1-cyclopropyl-1-ethyl-2-propylguanidine

1-cyclopropyl-1-ethyl-2-propylguanidine (PubChem CID 62359011) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethyl-2-propylguanidine
PubChem CID62359011
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-cyclopropyl-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)C1CC1
InChIInChI=1S/C9H19N3/c1-3-7-11-9(10)12(4-2)8-5-6-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFPOWNVRUVPWNHQ-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethyl-2-propylguanidine?
The IUPAC name of 1-cyclopropyl-1-ethyl-2-propylguanidine (CID 62359011) is 1-cyclopropyl-1-ethyl-2-propylguanidine.
What is the SMILES notation for 1-cyclopropyl-1-ethyl-2-propylguanidine?
The canonical SMILES for 1-cyclopropyl-1-ethyl-2-propylguanidine is CCC/N=C(\N)N(CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethyl-2-propylguanidine?
The InChIKey is FPOWNVRUVPWNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-7-11-9(10)12(4-2)8-5-6-8/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 1-cyclopropyl-1-ethyl-2-propylguanidine?
1-cyclopropyl-1-ethyl-2-propylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethyl-2-propylguanidine is sourced from PubChem (CID 62359011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).