1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine

C15H23N3 — CID 111456401

IUPAC1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
SMILESC/N=C(\NC)NC1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N3/c1-10(2)11-5-7-12(8-6-11)13-9-14(13)18-15(16-3)17-4/h5-8,10,13-14H,9H2,1-4H3,(H2,16,17,18)
InChIKeyNAPXLDZXOKEUBG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.46
Rot. Bonds3

About 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine

1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine (PubChem CID 111456401) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
PubChem CID111456401
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
SMILESC/N=C(\NC)NC1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N3/c1-10(2)11-5-7-12(8-6-11)13-9-14(13)18-15(16-3)17-4/h5-8,10,13-14H,9H2,1-4H3,(H2,16,17,18)
InChIKeyNAPXLDZXOKEUBG-UHFFFAOYSA-N
XLogP2.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.46
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-[2-(4-bromophenyl)cyclopropyl]-2,3-dimethylguanidine
CID 110927984
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776637
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 109444413
1-[1-(3,4-difluorophenyl)ethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111324347
2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703340
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109382237
2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818787
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111586448
1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide
CID 111150909
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
1-[2-(4-bromophenyl)cyclopropyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110999182

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine (CID 111456401) is 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine is C/N=C(\NC)NC1CC1c1ccc(C(C)C)cc1.
What is the InChIKey of 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine?
The InChIKey is NAPXLDZXOKEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)11-5-7-12(8-6-11)13-9-14(13)18-15(16-3)17-4/h5-8,10,13-14H,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine?
1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111456401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).