1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine

C18H25N3O — CID 122098926

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
SMILESCOC1CC(/N=C(\N)Nc2ccc3c(c2)CCC3)C12CCC2
InChIInChI=1S/C18H25N3O/c1-22-16-11-15(18(16)8-3-9-18)21-17(19)20-14-7-6-12-4-2-5-13(12)10-14/h6-7,10,15-16H,2-5,8-9,11H2,1H3,(H3,19,20,21)
InChIKeyDHBGQLDZFMRTTJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine (PubChem CID 122098926) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
PubChem CID122098926
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
SMILESCOC1CC(/N=C(\N)Nc2ccc3c(c2)CCC3)C12CCC2
InChIInChI=1S/C18H25N3O/c1-22-16-11-15(18(16)8-3-9-18)21-17(19)20-14-7-6-12-4-2-5-13(12)10-14/h6-7,10,15-16H,2-5,8-9,11H2,1H3,(H3,19,20,21)
InChIKeyDHBGQLDZFMRTTJ-UHFFFAOYSA-N
XLogP2.86
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.86
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'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
CID 122098951
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662740
2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
CID 119152223
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 119152209
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
1-(3,4-dimethoxyphenyl)-2-spiro[3.4]octan-3-ylguanidine
CID 120514400
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfinylcyclopropyl)methyl]guanidine;hydroiodide
CID 120728008
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
CID 22675654
2-(2,2-diethyl-3-methoxycyclobutyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 119164636
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(dimethylamino)oxan-4-yl]methyl]guanidine
CID 111809250

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine (CID 122098926) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine is COC1CC(/N=C(\N)Nc2ccc3c(c2)CCC3)C12CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine?
The InChIKey is DHBGQLDZFMRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-22-16-11-15(18(16)8-3-9-18)21-17(19)20-14-7-6-12-4-2-5-13(12)10-14/h6-7,10,15-16H,2-5,8-9,11H2,1H3,(H3,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine has a molecular weight of 299.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine is sourced from PubChem (CID 122098926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).