N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine

C16H24N2 — CID 168947075

IUPACN-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
SMILESCCC(C)N(CC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-13(3)18(5-2)11-10-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyYPNJCUDMMFESFO-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.83
Rot. Bonds6

About N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine

N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine (PubChem CID 168947075) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
PubChem CID168947075
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
SMILESCCC(C)N(CC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-13(3)18(5-2)11-10-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyYPNJCUDMMFESFO-UHFFFAOYSA-N
XLogP3.83
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
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
[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-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine (CID 168947075) is N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine is CCC(C)N(CC)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine?
The InChIKey is YPNJCUDMMFESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13(3)18(5-2)11-10-14-12-17-16-9-7-6-8-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine?
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 168947075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).