1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine

C11H16N4 — CID 116510668

IUPAC1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H16N4/c1-13-11(15-12)14-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4,12H2,1H3,(H2,13,14,15)
InChIKeyQXYFCFLVAIZGOJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.04
Rot. Bonds1

About 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine

1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine (PubChem CID 116510668) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
PubChem CID116510668
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H16N4/c1-13-11(15-12)14-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4,12H2,1H3,(H2,13,14,15)
InChIKeyQXYFCFLVAIZGOJ-UHFFFAOYSA-N
XLogP1.04
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
CID 22675654
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
CID 166277072
N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine (CID 116510668) is 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine is C/N=C(\NN)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine?
The InChIKey is QXYFCFLVAIZGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-13-11(15-12)14-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine?
1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine has a molecular weight of 204.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine is sourced from PubChem (CID 116510668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).