1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine

C13H27N3 — CID 78967103

IUPAC1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC(C)C)C1CCCC1
InChIInChI=1S/C13H27N3/c1-4-9-15-13(14)16(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyVMOOKANJQAEROG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.61
Rot. Bonds5

About 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine

1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine (PubChem CID 78967103) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine
PubChem CID78967103
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC(C)C)C1CCCC1
InChIInChI=1S/C13H27N3/c1-4-9-15-13(14)16(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyVMOOKANJQAEROG-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.61
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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Related Compounds

1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 78967117
1,1-dicyclohexyl-2-(11-methyldodecyl)guanidine
CID 19826646
1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
CID 78989365
1-butan-2-yl-1-methyl-2-propylguanidine
CID 62359367
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
CID 78967131
[cyclohexyl(2-methylpropyl)carbamothioyl]sulfanyl N-cyclohexyl-N-(2-methylpropyl)carbamodithioate
CID 56985570
1-methyl-1-(1-methylsulfanylpropan-2-yl)-2-propylguanidine
CID 112660678
1-(1-cyclohexylethyl)-2-propylguanidine
CID 62406352
1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103189428
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine?
The IUPAC name of 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine (CID 78967103) is 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine?
The canonical SMILES for 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine is CCC/N=C(\N)N(CC(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine?
The InChIKey is VMOOKANJQAEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-9-15-13(14)16(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine?
1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine has a molecular weight of 225.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine is sourced from PubChem (CID 78967103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).