N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

C14H23N3 — CID 80566631

IUPACN'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CNc2ccccc21
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyYZCJQXCHWQLPCS-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.69
Rot. Bonds5

About N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 80566631) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID80566631
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CNc2ccccc21
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyYZCJQXCHWQLPCS-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
CID 80566627
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82951861
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 80566812
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
CID 80577083
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 80567207
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 80566631) is N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1CNc2ccccc21.
What is the InChIKey of N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is YZCJQXCHWQLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 80566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).