1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine

C13H19N3 — CID 86777116

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N3/c1-14-13(15-2)16-9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9H2,1-2H3,(H2,14,15,16)
InChIKeyHTLNPKVACVXDDY-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.47
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine

1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine (PubChem CID 86777116) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine
PubChem CID86777116
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N3/c1-14-13(15-2)16-9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9H2,1-2H3,(H2,14,15,16)
InChIKeyHTLNPKVACVXDDY-UHFFFAOYSA-N
XLogP1.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine (CID 86777116) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine?
The InChIKey is HTLNPKVACVXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-14-13(15-2)16-9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine has a molecular weight of 217.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 86777116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).