1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide

C16H27IN4O — CID 110029855

IUPAC1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCN(C)CCOc1cccc(C/N=C(\N)N(C)C2CC2)c1.I
InChIInChI=1S/C16H26N4O.HI/c1-19(2)9-10-21-15-6-4-5-13(11-15)12-18-16(17)20(3)14-7-8-14;/h4-6,11,14H,7-10,12H2,1-3H3,(H2,17,18);1H
InChIKeyZZQYEXIVUOVMCC-UHFFFAOYSA-N
MW418.32 g/mol
LogP2.15
Rot. Bonds7

About 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide (PubChem CID 110029855) has the molecular formula C16H27IN4O and a molecular weight of 418.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
PubChem CID110029855
Molecular FormulaC16H27IN4O
Molecular Weight418.32 g/mol
Exact Mass418.12
IUPAC Name1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
SMILESCN(C)CCOc1cccc(C/N=C(\N)N(C)C2CC2)c1.I
InChIInChI=1S/C16H26N4O.HI/c1-19(2)9-10-21-15-6-4-5-13(11-15)12-18-16(17)20(3)14-7-8-14;/h4-6,11,14H,7-10,12H2,1-3H3,(H2,17,18);1H
InChIKeyZZQYEXIVUOVMCC-UHFFFAOYSA-N
XLogP2.15
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110030640
1-cyclopropyl-1-methyl-2-[2-(3-propoxyphenyl)ethyl]guanidine;hydroiodide
CID 110031702
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111598363
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
N'-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111099549
1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide (CID 110029855) is 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide is CN(C)CCOc1cccc(C/N=C(\N)N(C)C2CC2)c1.I.
What is the InChIKey of 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide?
The InChIKey is ZZQYEXIVUOVMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.HI/c1-19(2)9-10-21-15-6-4-5-13(11-15)12-18-16(17)20(3)14-7-8-14;/h4-6,11,14H,7-10,12H2,1-3H3,(H2,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide has a molecular weight of 418.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).