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

C13H19N3 — CID 115195851

IUPACN-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-10-12(9-15-8-7-14-2)11-5-3-4-6-13(11)16-10/h3-6,14-16H,7-9H2,1-2H3
InChIKeyFWDHBRPMWZDUEQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.79
Rot. Bonds5

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

N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 115195851) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
PubChem CID115195851
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c1-10-12(9-15-8-7-14-2)11-5-3-4-6-13(11)16-10/h3-6,14-16H,7-9H2,1-2H3
InChIKeyFWDHBRPMWZDUEQ-UHFFFAOYSA-N
XLogP1.79
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
CID 115200029
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242255
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine (CID 115195851) is N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine is CNCCNCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is FWDHBRPMWZDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-12(9-15-8-7-14-2)11-5-3-4-6-13(11)16-10/h3-6,14-16H,7-9H2,1-2H3.
What are the key properties of N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine?
N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115195851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).