1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine

C15H22N2 — CID 162773405

IUPAC1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C([2H])(C)N(CCc1c[nH]c2ccccc12)C([2H])([2H])CC
InChIInChI=1S/C15H22N2/c1-3-10-17(4-2)11-9-13-12-16-15-8-6-5-7-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3/i4D2,10D2
InChIKeyLCDYRMYSOIVPRS-NVKMLNCQSA-N
MW234.38 g/mol
LogP3.44
Rot. Bonds6

About 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine

1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 162773405) has the molecular formula C15H22N2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID162773405
Molecular FormulaC15H22N2
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C([2H])(C)N(CCc1c[nH]c2ccccc12)C([2H])([2H])CC
InChIInChI=1S/C15H22N2/c1-3-10-17(4-2)11-9-13-12-16-15-8-6-5-7-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3/i4D2,10D2
InChIKeyLCDYRMYSOIVPRS-NVKMLNCQSA-N
XLogP3.44
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
3-heptyl-1H-indole
CID 15360907
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 169026501
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine (CID 162773405) is 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine is [2H]C([2H])(C)N(CCc1c[nH]c2ccccc12)C([2H])([2H])CC.
What is the InChIKey of 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is LCDYRMYSOIVPRS-NVKMLNCQSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-10-17(4-2)11-9-13-12-16-15-8-6-5-7-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3/i4D2,10D2.
What are the key properties of 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine?
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 234.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 162773405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).