N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

C12H19N3 — CID 62095660

IUPACN-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCNC(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C12H19N3/c1-14-11(8-13)9-3-4-12-10(7-9)5-6-15(12)2/h3-4,7,11,14H,5-6,8,13H2,1-2H3
InChIKeyZBMQXACBNXHCDM-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (PubChem CID 62095660) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
PubChem CID62095660
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCNC(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C12H19N3/c1-14-11(8-13)9-3-4-12-10(7-9)5-6-15(12)2/h3-4,7,11,14H,5-6,8,13H2,1-2H3
InChIKeyZBMQXACBNXHCDM-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
N-[2-(dimethylamino)ethyl]-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 63694643
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530
N-cyclopropyl-1-(1-methyl-2,3-dihydroindol-5-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62095166
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (CID 62095660) is N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is CNC(CN)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The InChIKey is ZBMQXACBNXHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-11(8-13)9-3-4-12-10(7-9)5-6-15(12)2/h3-4,7,11,14H,5-6,8,13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine has a molecular weight of 205.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).