N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine

C14H20N2 — CID 96658400

IUPACN-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCCNCCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-15-10-6-8-12-11(2)16-14-9-5-4-7-13(12)14/h4-5,7,9,15-16H,3,6,8,10H2,1-2H3
InChIKeyKDHUMPQAVAVCQM-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine

N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 96658400) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID96658400
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCCNCCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-15-10-6-8-12-11(2)16-14-9-5-4-7-13(12)14/h4-5,7,9,15-16H,3,6,8,10H2,1-2H3
InChIKeyKDHUMPQAVAVCQM-UHFFFAOYSA-N
XLogP3.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine (CID 96658400) is N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine is CCNCCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is KDHUMPQAVAVCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-15-10-6-8-12-11(2)16-14-9-5-4-7-13(12)14/h4-5,7,9,15-16H,3,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine?
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 96658400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).