2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine

C10H24N4 — CID 62361498

IUPAC2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine
SMILESCCN(CC)CC/N=C(\N)NC(C)C
InChIInChI=1S/C10H24N4/c1-5-14(6-2)8-7-12-10(11)13-9(3)4/h9H,5-8H2,1-4H3,(H3,11,12,13)
InChIKeyCSZNROZRZPHVST-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine

2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine (PubChem CID 62361498) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine
PubChem CID62361498
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine
SMILESCCN(CC)CC/N=C(\N)NC(C)C
InChIInChI=1S/C10H24N4/c1-5-14(6-2)8-7-12-10(11)13-9(3)4/h9H,5-8H2,1-4H3,(H3,11,12,13)
InChIKeyCSZNROZRZPHVST-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine (CID 62361498) is 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine is CCN(CC)CC/N=C(\N)NC(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine?
The InChIKey is CSZNROZRZPHVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-5-14(6-2)8-7-12-10(11)13-9(3)4/h9H,5-8H2,1-4H3,(H3,11,12,13).
What are the key properties of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine?
2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine has a molecular weight of 200.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62361498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).