1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine

C11H16N4 — CID 139724628

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H16N4/c1-13-11(12)15(2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13)
InChIKeyWVUZLMQMMKONFF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.04
Rot. Bonds1

About 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine

1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine (PubChem CID 139724628) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine
PubChem CID139724628
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H16N4/c1-13-11(12)15(2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13)
InChIKeyWVUZLMQMMKONFF-UHFFFAOYSA-N
XLogP1.04
TPSA53.65 Ų
H-Bond Donors2
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 ≤ 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

N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
1,2-dimethyl-1-(3-methylphenyl)guanidine;ethane
CID 144789417
7-(dimethylamino)-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 82396575
1-(4-ethylphenyl)-1,2-dimethylguanidine
CID 62358606
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282
ethanol;5-nitroso-2,3-dihydro-1H-indole
CID 19098997
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine (CID 139724628) is 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine is C/N=C(\N)N(C)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine?
The InChIKey is WVUZLMQMMKONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-13-11(12)15(2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine?
1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine has a molecular weight of 204.28 g/mol, XLogP of 1.04, 1 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-indol-5-yl)-1,2-dimethylguanidine is sourced from PubChem (CID 139724628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).