N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H21N3 — CID 114528633

IUPACN-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1CCc1nccn1C
InChIInChI=1S/C16H21N3/c1-17-16-13(7-8-15-18-9-10-19(15)2)11-12-5-3-4-6-14(12)16/h3-6,9-10,13,16-17H,7-8,11H2,1-2H3
InChIKeyWMKHODXUOSWUCC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 114528633) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID114528633
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1CCc1nccn1C
InChIInChI=1S/C16H21N3/c1-17-16-13(7-8-15-18-9-10-19(15)2)11-12-5-3-4-6-14(12)16/h3-6,9-10,13,16-17H,7-8,11H2,1-2H3
InChIKeyWMKHODXUOSWUCC-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
CID 114531133
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114528295
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 61215276
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
2-[3-(2-methoxyethoxy)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103410706

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 114528633) is N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1CCc1nccn1C.
What is the InChIKey of N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WMKHODXUOSWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-16-13(7-8-15-18-9-10-19(15)2)11-12-5-3-4-6-14(12)16/h3-6,9-10,13,16-17H,7-8,11H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).