1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

C11H24N4 — CID 62980116

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C11H24N4/c1-9(2)8-14-11(12)13-6-7-15(3)10-4-5-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyIVKGWBIEJIJJPN-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds6

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 62980116) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
PubChem CID62980116
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C11H24N4/c1-9(2)8-14-11(12)13-6-7-15(3)10-4-5-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyIVKGWBIEJIJJPN-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
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 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine 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 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (CID 62980116) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is IVKGWBIEJIJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)8-14-11(12)13-6-7-15(3)10-4-5-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 212.34 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 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62980116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).