N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine

C15H25N3 — CID 80650079

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cccc2c1NCC2
InChIInChI=1S/C15H25N3/c1-3-18(4-2)11-10-16-12-14-7-5-6-13-8-9-17-15(13)14/h5-7,16-17H,3-4,8-12H2,1-2H3
InChIKeyFPLNNPOGYZWUDF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.09
Rot. Bonds7

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 80650079) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
PubChem CID80650079
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1cccc2c1NCC2
InChIInChI=1S/C15H25N3/c1-3-18(4-2)11-10-16-12-14-7-5-6-13-8-9-17-15(13)14/h5-7,16-17H,3-4,8-12H2,1-2H3
InChIKeyFPLNNPOGYZWUDF-UHFFFAOYSA-N
XLogP2.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
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)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine (CID 80650079) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is FPLNNPOGYZWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18(4-2)11-10-16-12-14-7-5-6-13-8-9-17-15(13)14/h5-7,16-17H,3-4,8-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 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)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 80650079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).