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

C18H28N2 — CID 53494545

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CCc1c[nH]c2ccccc12)CCC(C)C
InChIInChI=1S/C18H28N2/c1-4-11-20(12-9-15(2)3)13-10-16-14-19-18-8-6-5-7-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyNQVYWBLGKSHLCI-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.47
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine (PubChem CID 53494545) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
PubChem CID53494545
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CCc1c[nH]c2ccccc12)CCC(C)C
InChIInChI=1S/C18H28N2/c1-4-11-20(12-9-15(2)3)13-10-16-14-19-18-8-6-5-7-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyNQVYWBLGKSHLCI-UHFFFAOYSA-N
XLogP4.47
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
3-heptyl-1H-indole
CID 15360907
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine (CID 53494545) is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine is CCCN(CCc1c[nH]c2ccccc12)CCC(C)C.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine?
The InChIKey is NQVYWBLGKSHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-11-20(12-9-15(2)3)13-10-16-14-19-18-8-6-5-7-17(16)18/h5-8,14-15,19H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 53494545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).