2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C18H32IN3O — CID 111813103

IUPAC2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1.I
InChIInChI=1S/C18H31N3O.HI/c1-15(13-22-4)21-17(19)20-14-18(2,3)12-8-11-16-9-6-5-7-10-16;/h5-7,9-10,15H,8,11-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyAWELOICPABWAHF-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.59
Rot. Bonds9

About 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111813103) has the molecular formula C18H32IN3O and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111813103
Molecular FormulaC18H32IN3O
Molecular Weight433.38 g/mol
Exact Mass433.16
IUPAC Name2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1.I
InChIInChI=1S/C18H31N3O.HI/c1-15(13-22-4)21-17(19)20-14-18(2,3)12-8-11-16-9-6-5-7-10-16;/h5-7,9-10,15H,8,11-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyAWELOICPABWAHF-UHFFFAOYSA-N
XLogP3.59
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
1-(1-methoxypropan-2-yl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077790
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054295
2-[2-(benzenesulfonyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111065155
1-(1-methoxypropan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911459
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
2-[(3-bromophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044563
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
methyl 4-[2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]benzoate;hydroiodide
CID 111040660
1-(1-methoxypropan-2-yl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049808

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111813103) is 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/CC(C)(C)CCCc1ccccc1.I.
What is the InChIKey of 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is AWELOICPABWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.HI/c1-15(13-22-4)21-17(19)20-14-18(2,3)12-8-11-16-9-6-5-7-10-16;/h5-7,9-10,15H,8,11-14H2,1-4H3,(H3,19,20,21);1H.
What are the key properties of 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 433.38 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111813103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).