2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine

C11H23N3 — CID 63837649

IUPAC2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
SMILESCCC(CC)C(C)N/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3/c1-4-9(5-2)8(3)13-11(12)14-10-6-7-10/h8-10H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyWTJIMZLYOMKWQI-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.88
Rot. Bonds5

About 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine

2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine (PubChem CID 63837649) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
PubChem CID63837649
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
SMILESCCC(CC)C(C)N/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3/c1-4-9(5-2)8(3)13-11(12)14-10-6-7-10/h8-10H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyWTJIMZLYOMKWQI-UHFFFAOYSA-N
XLogP1.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
CID 126559950
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
CID 103111147
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
CID 62363982
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
CID 62362254
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine (CID 63837649) is 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine is CCC(CC)C(C)N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine?
The InChIKey is WTJIMZLYOMKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-9(5-2)8(3)13-11(12)14-10-6-7-10/h8-10H,4-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine?
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine has a molecular weight of 197.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine is sourced from PubChem (CID 63837649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).