1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine

C14H18N4 — CID 54961512

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
SMILESCc1nccn1CCN1CCc2ccc(N)cc21
InChIInChI=1S/C14H18N4/c1-11-16-5-7-17(11)8-9-18-6-4-12-2-3-13(15)10-14(12)18/h2-3,5,7,10H,4,6,8-9,15H2,1H3
InChIKeyDEBIXJJNJJCQHA-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine

1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 54961512) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
PubChem CID54961512
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
SMILESCc1nccn1CCN1CCc2ccc(N)cc21
InChIInChI=1S/C14H18N4/c1-11-16-5-7-17(11)8-9-18-6-4-12-2-3-13(15)10-14(12)18/h2-3,5,7,10H,4,6,8-9,15H2,1H3
InChIKeyDEBIXJJNJJCQHA-UHFFFAOYSA-N
XLogP1.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662559
1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39415427
1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39456546
N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033884
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493689
3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493690
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336954
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine (CID 54961512) is 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine is Cc1nccn1CCN1CCc2ccc(N)cc21.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is DEBIXJJNJJCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-16-5-7-17(11)8-9-18-6-4-12-2-3-13(15)10-14(12)18/h2-3,5,7,10H,4,6,8-9,15H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 242.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 54961512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).