ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine

C18H30N2 — CID 156836181

IUPACethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCC.CCCN(CC)CCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C16H24N2.C2H6/c1-4-10-18(5-2)11-9-14-12-17-15-8-6-7-13(3)16(14)15;1-2/h6-8,12,17H,4-5,9-11H2,1-3H3;1-2H3
InChIKeyXMZYIRKYNHQMCN-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.78
Rot. Bonds6

About ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine

ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 156836181) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID156836181
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Nameethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCC.CCCN(CC)CCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C16H24N2.C2H6/c1-4-10-18(5-2)11-9-14-12-17-15-8-6-7-13(3)16(14)15;1-2/h6-8,12,17H,4-5,9-11H2,1-3H3;1-2H3
InChIKeyXMZYIRKYNHQMCN-UHFFFAOYSA-N
XLogP4.78
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] 4-fluorobenzenesulfonate
CID 163399467
3,4-dimethyl-1H-indole;ethane
CID 143293593
N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine
CID 167175501
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119114359
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine (CID 156836181) is ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine is CC.CCCN(CC)CCc1c[nH]c2cccc(C)c12.
What is the InChIKey of ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is XMZYIRKYNHQMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.C2H6/c1-4-10-18(5-2)11-9-14-12-17-15-8-6-7-13(3)16(14)15;1-2/h6-8,12,17H,4-5,9-11H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 156836181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).