1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide

C18H28IN3O — CID 111821409

IUPAC1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1c(O)ccc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C18H27N3O.HI/c19-18(21-14-7-2-1-3-8-14)20-12-16-15-9-5-4-6-13(15)10-11-17(16)22;/h10-11,14,22H,1-9,12H2,(H3,19,20,21);1H
InChIKeyFSFJHLQHKACQKW-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.63
Rot. Bonds3

About 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide

1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide (PubChem CID 111821409) has the molecular formula C18H28IN3O and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
PubChem CID111821409
Molecular FormulaC18H28IN3O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC Name1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1c(O)ccc2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C18H27N3O.HI/c19-18(21-14-7-2-1-3-8-14)20-12-16-15-9-5-4-6-13(15)10-11-17(16)22;/h10-11,14,22H,1-9,12H2,(H3,19,20,21);1H
InChIKeyFSFJHLQHKACQKW-UHFFFAOYSA-N
XLogP3.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-butyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111821421
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine
CID 111821388
2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821407
N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide
CID 111821412
1,1-diethyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111821415
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide (CID 111821409) is 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1c(O)ccc2c1CCCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide?
The InChIKey is FSFJHLQHKACQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.HI/c19-18(21-14-7-2-1-3-8-14)20-12-16-15-9-5-4-6-13(15)10-11-17(16)22;/h10-11,14,22H,1-9,12H2,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide has a molecular weight of 429.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111821409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).