1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine

C16H23N3O — CID 119118923

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
SMILESN/C(=N\CC1CCOCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O/c17-16(18-11-12-6-8-20-9-7-12)19-15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2,(H3,17,18,19)
InChIKeyVKPUMIMKPLUGBK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine (PubChem CID 119118923) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
PubChem CID119118923
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
SMILESN/C(=N\CC1CCOCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O/c17-16(18-11-12-6-8-20-9-7-12)19-15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2,(H3,17,18,19)
InChIKeyVKPUMIMKPLUGBK-UHFFFAOYSA-N
XLogP2.33
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.33
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-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098481
2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122098172
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(dimethylamino)oxan-4-yl]methyl]guanidine
CID 111809250
1-(2,3-dihydro-1H-inden-5-yl)-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111084462
2-[2-(cyclopropylmethoxy)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111801942
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033531
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine (CID 119118923) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine is N/C(=N\CC1CCOCC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine?
The InChIKey is VKPUMIMKPLUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(18-11-12-6-8-20-9-7-12)19-15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2,(H3,17,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine has a molecular weight of 273.38 g/mol, XLogP of 2.33, 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-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 119118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).