N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

C14H18N4 — CID 80650330

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESc1cc2c(c(CNCCc3cnc[nH]3)c1)NCC2
InChIInChI=1S/C14H18N4/c1-2-11-4-7-17-14(11)12(3-1)8-15-6-5-13-9-16-10-18-13/h1-3,9-10,15,17H,4-8H2,(H,16,18)
InChIKeyYCYBKGYKVYLIMH-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.71
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 80650330) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID80650330
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESc1cc2c(c(CNCCc3cnc[nH]3)c1)NCC2
InChIInChI=1S/C14H18N4/c1-2-11-4-7-17-14(11)12(3-1)8-15-6-5-13-9-16-10-18-13/h1-3,9-10,15,17H,4-8H2,(H,16,18)
InChIKeyYCYBKGYKVYLIMH-UHFFFAOYSA-N
XLogP1.71
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (CID 80650330) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is c1cc2c(c(CNCCc3cnc[nH]3)c1)NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is YCYBKGYKVYLIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-11-4-7-17-14(11)12(3-1)8-15-6-5-13-9-16-10-18-13/h1-3,9-10,15,17H,4-8H2,(H,16,18).
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 242.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 80650330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).