1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine

C15H22ClN3 — CID 111963433

IUPAC1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCCc1ccc(Cl)cc1)NC1CC1C
InChIInChI=1S/C15H22ClN3/c1-11-10-14(11)19-15(17-2)18-9-3-4-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBSCVAUCDIXLLNQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine

1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111963433) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111963433
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCCc1ccc(Cl)cc1)NC1CC1C
InChIInChI=1S/C15H22ClN3/c1-11-10-14(11)19-15(17-2)18-9-3-4-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBSCVAUCDIXLLNQ-UHFFFAOYSA-N
XLogP2.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)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

N-(4-chlorophenyl)-4-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111962458
1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111343921
1-[3-(4-chlorophenyl)propyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111390889
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198612
1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963344
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111197406
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111380119
1-[(4-bromophenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111875719
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962939
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111988908
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111197405
1-(3-benzylsulfonylpropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961097

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (CID 111963433) is 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is C/N=C(\NCCCc1ccc(Cl)cc1)NC1CC1C.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is BSCVAUCDIXLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11-10-14(11)19-15(17-2)18-9-3-4-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 279.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111963433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).