2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine

C12H25N3O — CID 65047958

IUPAC2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
SMILESCOCC(N/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)11(8-16-3)15-12(13)14-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H3,13,14,15)
InChIKeyXFLBXIGZRSVFFC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds5

About 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine

2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine (PubChem CID 65047958) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
PubChem CID65047958
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
SMILESCOCC(N/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)11(8-16-3)15-12(13)14-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H3,13,14,15)
InChIKeyXFLBXIGZRSVFFC-UHFFFAOYSA-N
XLogP1.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
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-cyclopentyl-1-(1-methoxy-3-methylbutan-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-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclopentyl-1-methoxyguanidine
CID 130567773
1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 116509022
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-(cyclopentylamino)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049389
2-(3,3-difluorocyclobutyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 120514445
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094
2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65053308
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65049574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine (CID 65047958) is 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine is COCC(N/C(N)=N/C1CCCC1)C(C)C.
What is the InChIKey of 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine?
The InChIKey is XFLBXIGZRSVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)11(8-16-3)15-12(13)14-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine?
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 65047958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).