1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide

C18H34IN3O — CID 119134195

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOC1)NC1CCC2CCCCC2C1.I
InChIInChI=1S/C18H33N3O.HI/c1-2-19-18(20-12-14-9-10-22-13-14)21-17-8-7-15-5-3-4-6-16(15)11-17;/h14-17H,2-13H2,1H3,(H2,19,20,21);1H
InChIKeyPDOUZFPJWRJYEM-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.55
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 119134195) has the molecular formula C18H34IN3O and a molecular weight of 435.39 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
PubChem CID119134195
Molecular FormulaC18H34IN3O
Molecular Weight435.39 g/mol
Exact Mass435.17
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOC1)NC1CCC2CCCCC2C1.I
InChIInChI=1S/C18H33N3O.HI/c1-2-19-18(20-12-14-9-10-22-13-14)21-17-8-7-15-5-3-4-6-16(15)11-17;/h14-17H,2-13H2,1H3,(H2,19,20,21);1H
InChIKeyPDOUZFPJWRJYEM-UHFFFAOYSA-N
XLogP3.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.55
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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119146145
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]guanidine
CID 119157386
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150551
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 119155673
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-[(1,1-dioxothiolan-3-yl)methyl]-3-propylguanidine
CID 119146251
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine
CID 119134206
1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110987907
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 119151483
1-cyclopropyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111759477
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
1-[2-(furan-2-yl)ethyl]-2-(oxolan-3-ylmethyl)-3-(2-pentan-3-yloxan-4-yl)guanidine;hydroiodide
CID 110061429

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 119134195) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC1CCOC1)NC1CCC2CCCCC2C1.I.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is PDOUZFPJWRJYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.HI/c1-2-19-18(20-12-14-9-10-22-13-14)21-17-8-7-15-5-3-4-6-16(15)11-17;/h14-17H,2-13H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 435.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119134195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).