1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine

C18H27N3O — CID 119140329

IUPAC1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCC1CCc2ccccc21
InChIInChI=1S/C18H27N3O/c1-2-19-18(21-13-16-7-5-11-22-16)20-12-15-10-9-14-6-3-4-8-17(14)15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H2,19,20,21)
InChIKeyLQWAGPXSEOTBGJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.45
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine

1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 119140329) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
PubChem CID119140329
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCC1CCc2ccccc21
InChIInChI=1S/C18H27N3O/c1-2-19-18(21-13-16-7-5-11-22-16)20-12-15-10-9-14-6-3-4-8-17(14)15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H2,19,20,21)
InChIKeyLQWAGPXSEOTBGJ-UHFFFAOYSA-N
XLogP2.45
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.45
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

2-(cyclopropylmethyl)-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111868820
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
CID 119140285
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111137163
1-ethyl-2-(oxolan-2-ylmethyl)-3-(3-phenylpropyl)guanidine
CID 111137405
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365113
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 86770911
N-[3-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111139672
1-tert-butyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 110965796
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111137437
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine (CID 119140329) is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine is CCN/C(=N\CC1CCCO1)NCC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is LQWAGPXSEOTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-19-18(21-13-16-7-5-11-22-16)20-12-15-10-9-14-6-3-4-8-17(14)15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 301.43 g/mol, XLogP of 2.45, 5 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-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 119140329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).