2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide

C15H30IN3O — CID 110031482

IUPAC2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCCCCOC1CC(/N=C(\N)N(C)C2CC2)C1(C)C.I
InChIInChI=1S/C15H29N3O.HI/c1-5-6-9-19-13-10-12(15(13,2)3)17-14(16)18(4)11-7-8-11;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H
InChIKeyFYIDBCHQICRMJI-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide

2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide (PubChem CID 110031482) has the molecular formula C15H30IN3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide
PubChem CID110031482
Molecular FormulaC15H30IN3O
Molecular Weight395.33 g/mol
Exact Mass395.14
IUPAC Name2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCCCCOC1CC(/N=C(\N)N(C)C2CC2)C1(C)C.I
InChIInChI=1S/C15H29N3O.HI/c1-5-6-9-19-13-10-12(15(13,2)3)17-14(16)18(4)11-7-8-11;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H
InChIKeyFYIDBCHQICRMJI-UHFFFAOYSA-N
XLogP3.00
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine
CID 122099406
1-butan-2-yl-2-(3-butoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 111757565
N'-(3-butoxy-2,2-dimethylcyclobutyl)morpholine-4-carboximidamide
CID 111823197
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119343546
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
CID 99855461
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl] 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 97098567
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
CID 122098510
N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119818533

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide (CID 110031482) is 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide is CCCCOC1CC(/N=C(\N)N(C)C2CC2)C1(C)C.I.
What is the InChIKey of 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide?
The InChIKey is FYIDBCHQICRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.HI/c1-5-6-9-19-13-10-12(15(13,2)3)17-14(16)18(4)11-7-8-11;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H.
What are the key properties of 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide?
2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).