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

C18H18N4 — CID 150229412

IUPACN,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
SMILESc1ccc2[nH]c(NCCNc3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H18N4/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20-18-12-14-6-2-4-8-16(14)22-18/h1-8,11-12,19-22H,9-10H2
InChIKeyFVDVVMCBLKDKLA-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.17
Rot. Bonds5

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

N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine (PubChem CID 150229412) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
PubChem CID150229412
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
SMILESc1ccc2[nH]c(NCCNc3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H18N4/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20-18-12-14-6-2-4-8-16(14)22-18/h1-8,11-12,19-22H,9-10H2
InChIKeyFVDVVMCBLKDKLA-UHFFFAOYSA-N
XLogP4.17
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-1H-indol-2-amine
CID 70407223
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
chloro N-(1H-indol-2-yl)carbamate
CID 174677081
methyl N-(1H-indol-2-yl)carbamate
CID 68950849
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
CID 151637556
2-(2-fluoroethyl)-1H-indole
CID 142633825
3-(propylamino)-2H-isoquinolin-1-one
CID 60922442
2-bromo-1H-indole
CID 11805631

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine (CID 150229412) is N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine is c1ccc2[nH]c(NCCNc3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine?
The InChIKey is FVDVVMCBLKDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20-18-12-14-6-2-4-8-16(14)22-18/h1-8,11-12,19-22H,9-10H2.
What are the key properties of N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine?
N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 150229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).