2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine

C15H21N3 — CID 120666092

IUPAC2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)c1
InChIInChI=1S/C15H21N3/c1-9-5-10(2)7-12(6-9)17-15(16)18-14-8-13(14)11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyKDKQEHJNUCDVJP-UONOGXRCSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds3

About 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine

2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine (PubChem CID 120666092) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
PubChem CID120666092
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)c1
InChIInChI=1S/C15H21N3/c1-9-5-10(2)7-12(6-9)17-15(16)18-14-8-13(14)11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyKDKQEHJNUCDVJP-UONOGXRCSA-N
XLogP2.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
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

2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
1-(3,5-dimethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101022
1-(3,5-dimethylphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125967
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120666068
1-(3,5-dimethylphenyl)-2-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125966
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663034
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
1-(3,5-dimethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109378022
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
1-(3-methylphenyl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046076

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine?
The IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine (CID 120666092) is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine?
The canonical SMILES for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine is Cc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)c1.
What is the InChIKey of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine?
The InChIKey is KDKQEHJNUCDVJP-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-5-10(2)7-12(6-9)17-15(16)18-14-8-13(14)11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H3,16,17,18)/t13-,14+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine?
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine has a molecular weight of 243.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine is sourced from PubChem (CID 120666092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).