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

C13H19N3 — CID 116934901

IUPACN'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-3-15-8-11(14)13-9(2)16-12-7-5-4-6-10(12)13/h4-7,11,15-16H,3,8,14H2,1-2H3
InChIKeyZWIALJZIEQLRAA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.09
Rot. Bonds4

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

N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (PubChem CID 116934901) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
PubChem CID116934901
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-3-15-8-11(14)13-9(2)16-12-7-5-4-6-10(12)13/h4-7,11,15-16H,3,8,14H2,1-2H3
InChIKeyZWIALJZIEQLRAA-UHFFFAOYSA-N
XLogP2.09
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 65333195
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (CID 116934901) is N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is CCNCC(N)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The InChIKey is ZWIALJZIEQLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-15-8-11(14)13-9(2)16-12-7-5-4-6-10(12)13/h4-7,11,15-16H,3,8,14H2,1-2H3.
What are the key properties of N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116934901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).