2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide

C12H17ClIN3 — CID 110029377

IUPAC2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1ccc(Cl)cc1)C1CC1.I
InChIInChI=1S/C12H16ClN3.HI/c1-16(11-6-7-11)12(14)15-8-9-2-4-10(13)5-3-9;/h2-5,11H,6-8H2,1H3,(H2,14,15);1H
InChIKeyIJGHXWBQQJFWFS-UHFFFAOYSA-N
MW365.65 g/mol
LogP2.87
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide

2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (PubChem CID 110029377) has the molecular formula C12H17ClIN3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
PubChem CID110029377
Molecular FormulaC12H17ClIN3
Molecular Weight365.65 g/mol
Exact Mass365.02
IUPAC Name2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/Cc1ccc(Cl)cc1)C1CC1.I
InChIInChI=1S/C12H16ClN3.HI/c1-16(11-6-7-11)12(14)15-8-9-2-4-10(13)5-3-9;/h2-5,11H,6-8H2,1H3,(H2,14,15);1H
InChIKeyIJGHXWBQQJFWFS-UHFFFAOYSA-N
XLogP2.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029841
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
ethyl 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]benzoate
CID 110030507
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 110031755
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (CID 110029377) is 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is CN(/C(N)=N/Cc1ccc(Cl)cc1)C1CC1.I.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The InChIKey is IJGHXWBQQJFWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3.HI/c1-16(11-6-7-11)12(14)15-8-9-2-4-10(13)5-3-9;/h2-5,11H,6-8H2,1H3,(H2,14,15);1H.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide has a molecular weight of 365.65 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).