1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide

C18H28IN3O — CID 110031168

IUPAC1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
SMILESCOc1cccc(C2(C/N=C(\N)N(C)C3CC3)CCCC2)c1.I
InChIInChI=1S/C18H27N3O.HI/c1-21(15-8-9-15)17(19)20-13-18(10-3-4-11-18)14-6-5-7-16(12-14)22-2;/h5-7,12,15H,3-4,8-11,13H2,1-2H3,(H2,19,20);1H
InChIKeyQJMXTZDPJAYJLR-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.53
Rot. Bonds5

About 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide (PubChem CID 110031168) has the molecular formula C18H28IN3O and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
PubChem CID110031168
Molecular FormulaC18H28IN3O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC Name1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
SMILESCOc1cccc(C2(C/N=C(\N)N(C)C3CC3)CCCC2)c1.I
InChIInChI=1S/C18H27N3O.HI/c1-21(15-8-9-15)17(19)20-13-18(10-3-4-11-18)14-6-5-7-16(12-14)22-2;/h5-7,12,15H,3-4,8-11,13H2,1-2H3,(H2,19,20);1H
InChIKeyQJMXTZDPJAYJLR-UHFFFAOYSA-N
XLogP3.53
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
CID 111807364
2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
N'-[[1-(3-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807341
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
1-cyclopropyl-2-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030557
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
CID 110031921
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
CID 110029656

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide (CID 110031168) is 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide is COc1cccc(C2(C/N=C(\N)N(C)C3CC3)CCCC2)c1.I.
What is the InChIKey of 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide?
The InChIKey is QJMXTZDPJAYJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.HI/c1-21(15-8-9-15)17(19)20-13-18(10-3-4-11-18)14-6-5-7-16(12-14)22-2;/h5-7,12,15H,3-4,8-11,13H2,1-2H3,(H2,19,20);1H.
What are the key properties of 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide has a molecular weight of 429.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).