2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C16H24IN3O — CID 119142304

IUPAC2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCOC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H23N3O.HI/c17-16(18-10-12-8-9-20-11-12)19-15-7-3-5-13-4-1-2-6-14(13)15;/h3,5,7,12H,1-2,4,6,8-11H2,(H3,17,18,19);1H
InChIKeyCOACONGRZIDMDH-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 119142304) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID119142304
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC Name2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCOC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H23N3O.HI/c17-16(18-10-12-8-9-20-11-12)19-15-7-3-5-13-4-1-2-6-14(13)15;/h3,5,7,12H,1-2,4,6,8-11H2,(H3,17,18,19);1H
InChIKeyCOACONGRZIDMDH-UHFFFAOYSA-N
XLogP2.95
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.95
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-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(thian-4-ylmethyl)guanidine
CID 119146810
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721224
2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122099005
N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43192228
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111721479
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721600
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602
tert-butyl 4-[[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111721174
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122082383

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 119142304) is 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is I.N/C(=N\CC1CCOC1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is COACONGRZIDMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.HI/c17-16(18-10-12-8-9-20-11-12)19-15-7-3-5-13-4-1-2-6-14(13)15;/h3,5,7,12H,1-2,4,6,8-11H2,(H3,17,18,19);1H.
What are the key properties of 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 401.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 119142304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).