1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

C17H25N3 — CID 111771296

IUPAC1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESC/N=C(/NC1CCCC1)NC1CC1c1ccccc1C
InChIInChI=1S/C17H25N3/c1-12-7-3-6-10-14(12)15-11-16(15)20-17(18-2)19-13-8-4-5-9-13/h3,6-7,10,13,15-16H,4-5,8-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyKTMLYTHIYJXGPJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111771296) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111771296
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESC/N=C(/NC1CCCC1)NC1CC1c1ccccc1C
InChIInChI=1S/C17H25N3/c1-12-7-3-6-10-14(12)15-11-16(15)20-17(18-2)19-13-8-4-5-9-13/h3,6-7,10,13,15-16H,4-5,8-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyKTMLYTHIYJXGPJ-UHFFFAOYSA-N
XLogP2.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.96
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'}

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Related Compounds

1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109440834
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109428316
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771448
1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119135603
1-(1-benzylpiperidin-4-yl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 110987187
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771574
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
CID 110990673
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776101
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
2-methyl-1-[2-(2-methylphenyl)cyclopropyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111776887
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990672

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111771296) is 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is C/N=C(/NC1CCCC1)NC1CC1c1ccccc1C.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is KTMLYTHIYJXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-7-3-6-10-14(12)15-11-16(15)20-17(18-2)19-13-8-4-5-9-13/h3,6-7,10,13,15-16H,4-5,8-9,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 271.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111771296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).