N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine

C12H17N3 — CID 116934899

IUPACN'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3/c1-2-14-8-11(13)10-7-15-12-6-4-3-5-9(10)12/h3-7,11,14-15H,2,8,13H2,1H3
InChIKeyNOKIONLHQTXNCE-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.78
Rot. Bonds4

About N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine

N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine (PubChem CID 116934899) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
PubChem CID116934899
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3/c1-2-14-8-11(13)10-7-15-12-6-4-3-5-9(10)12/h3-7,11,14-15H,2,8,13H2,1H3
InChIKeyNOKIONLHQTXNCE-UHFFFAOYSA-N
XLogP1.78
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine (CID 116934899) is N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine is CCNCC(N)c1c[nH]c2ccccc12.
What is the InChIKey of N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine?
The InChIKey is NOKIONLHQTXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-14-8-11(13)10-7-15-12-6-4-3-5-9(10)12/h3-7,11,14-15H,2,8,13H2,1H3.
What are the key properties of N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine?
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116934899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).