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

C11H15N3 — CID 62378735

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCc2ccccc21
InChIInChI=1S/C11H15N3/c1-13-11(12)14-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H3,12,13,14)
InChIKeyBWFIGKKIEIOQHX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.21
Rot. Bonds1

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

1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine (PubChem CID 62378735) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
PubChem CID62378735
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCc2ccccc21
InChIInChI=1S/C11H15N3/c1-13-11(12)14-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H3,12,13,14)
InChIKeyBWFIGKKIEIOQHX-UHFFFAOYSA-N
XLogP1.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.21
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

N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 18751587
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine
CID 157035852
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
CID 56706776
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912781
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine (CID 62378735) is 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine is C/N=C(\N)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine?
The InChIKey is BWFIGKKIEIOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-11(12)14-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3,(H3,12,13,14).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine?
1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine has a molecular weight of 189.26 g/mol, XLogP of 1.21, 1 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-1-yl)-2-methylguanidine is sourced from PubChem (CID 62378735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).