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

C17H25ClIN3 — CID 110030573

IUPAC2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC1(c2ccc(Cl)cc2)CCCC1)C1CC1.I
InChIInChI=1S/C17H24ClN3.HI/c1-21(15-8-9-15)16(19)20-12-17(10-2-3-11-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12H2,1H3,(H2,19,20);1H
InChIKeyDOCMEWWNDPCOBV-UHFFFAOYSA-N
MW433.77 g/mol
LogP4.18
Rot. Bonds4

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

2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (PubChem CID 110030573) has the molecular formula C17H25ClIN3 and a molecular weight of 433.77 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
PubChem CID110030573
Molecular FormulaC17H25ClIN3
Molecular Weight433.77 g/mol
Exact Mass433.08
IUPAC Name2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC1(c2ccc(Cl)cc2)CCCC1)C1CC1.I
InChIInChI=1S/C17H24ClN3.HI/c1-21(15-8-9-15)16(19)20-12-17(10-2-3-11-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12H2,1H3,(H2,19,20);1H
InChIKeyDOCMEWWNDPCOBV-UHFFFAOYSA-N
XLogP4.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.77
LogP ≤ 54.18
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

2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111098218
1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
CID 110031168
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
1-cyclopropyl-2-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030557
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 110031832
2-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031853
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
2-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 120973045
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (CID 110030573) is 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is CN(/C(N)=N/CC1(c2ccc(Cl)cc2)CCCC1)C1CC1.I.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The InChIKey is DOCMEWWNDPCOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3.HI/c1-21(15-8-9-15)16(19)20-12-17(10-2-3-11-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12H2,1H3,(H2,19,20);1H.
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide has a molecular weight of 433.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110030573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).