1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine

C10H14N4 — CID 119082213

IUPAC1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
SMILESNCC(N)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C10H14N4/c11-4-9(13)8-5-14-10-3-6(12)1-2-7(8)10/h1-3,5,9,14H,4,11-13H2
InChIKeyHQVWMPRSESLXLA-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.71
Rot. Bonds2

About 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine

1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine (PubChem CID 119082213) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
PubChem CID119082213
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
SMILESNCC(N)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C10H14N4/c11-4-9(13)8-5-14-10-3-6(12)1-2-7(8)10/h1-3,5,9,14H,4,11-13H2
InChIKeyHQVWMPRSESLXLA-UHFFFAOYSA-N
XLogP0.71
TPSA93.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1H-indol-6-amine
CID 45117013
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
CID 170829404
1-(6-amino-1H-indol-3-yl)ethyl formate
CID 174775620
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
3-(4-aminophenyl)-1H-indol-6-amine
CID 67112268
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
(3-propan-2-yl-1H-indol-6-yl)methanamine
CID 115017611
3-propan-2-yl-1H-indol-5-amine
CID 90162786
3-isocyano-1H-indol-6-amine
CID 167419875
1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82496172

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine (CID 119082213) is 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine is NCC(N)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine?
The InChIKey is HQVWMPRSESLXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-4-9(13)8-5-14-10-3-6(12)1-2-7(8)10/h1-3,5,9,14H,4,11-13H2.
What are the key properties of 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine?
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 119082213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).