1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide

C19H22BrN3 — CID 22675654

IUPAC1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
SMILESBr.N/C(=N\c1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N3.BrH/c20-19(21-17-9-7-13-3-1-5-15(13)11-17)22-18-10-8-14-4-2-6-16(14)12-18;/h7-12H,1-6H2,(H3,20,21,22);1H
InChIKeyXYWSPECJCZTNDN-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.30
Rot. Bonds2

About 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide

1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide (PubChem CID 22675654) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide.

Molecular Properties

Compound Name1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
PubChem CID22675654
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC Name1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
SMILESBr.N/C(=N\c1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N3.BrH/c20-19(21-17-9-7-13-3-1-5-15(13)11-17)22-18-10-8-14-4-2-6-16(14)12-18;/h7-12H,1-6H2,(H3,20,21,22);1H
InChIKeyXYWSPECJCZTNDN-UHFFFAOYSA-N
XLogP4.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.30
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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Related Compounds

(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine
CID 111821388
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087924
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfinylcyclopropyl)methyl]guanidine;hydroiodide
CID 120728008
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide?
The IUPAC name of 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide (CID 22675654) is 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide.
What is the SMILES notation for 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide?
The canonical SMILES for 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide is Br.N/C(=N\c1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide?
The InChIKey is XYWSPECJCZTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.BrH/c20-19(21-17-9-7-13-3-1-5-15(13)11-17)22-18-10-8-14-4-2-6-16(14)12-18;/h7-12H,1-6H2,(H3,20,21,22);1H.
What are the key properties of 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide?
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide has a molecular weight of 372.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide is sourced from PubChem (CID 22675654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).