N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine

C14H21N3 — CID 112743020

IUPACN-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-4-15-14(10-17(2)3)12-9-16-13-8-6-5-7-11(12)13/h5-9,14-16H,4,10H2,1-3H3
InChIKeyKGABSLRJAXMKLQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine

N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 112743020) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID112743020
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-4-15-14(10-17(2)3)12-9-16-13-8-6-5-7-11(12)13/h5-9,14-16H,4,10H2,1-3H3
InChIKeyKGABSLRJAXMKLQ-UHFFFAOYSA-N
XLogP2.38
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
CID 176716315
CID 176716315
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-propan-2-yl-1H-indole
CID 12534824
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine
CID 59906439
2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817313
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 112743020) is N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KGABSLRJAXMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-15-14(10-17(2)3)12-9-16-13-8-6-5-7-11(12)13/h5-9,14-16H,4,10H2,1-3H3.
What are the key properties of N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112743020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).