N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine

C21H26N2 — CID 141012625

IUPACN-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine
SMILESCCN(CCCCn1ccc2ccccc21)Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-2-22(18-19-10-4-3-5-11-19)15-8-9-16-23-17-14-20-12-6-7-13-21(20)23/h3-7,10-14,17H,2,8-9,15-16,18H2,1H3
InChIKeyQREPGOXJWPPIMF-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.94
Rot. Bonds8

About N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine

N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine (PubChem CID 141012625) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine
PubChem CID141012625
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine
SMILESCCN(CCCCn1ccc2ccccc21)Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-2-22(18-19-10-4-3-5-11-19)15-8-9-16-23-17-14-20-12-6-7-13-21(20)23/h3-7,10-14,17H,2,8-9,15-16,18H2,1H3
InChIKeyQREPGOXJWPPIMF-UHFFFAOYSA-N
XLogP4.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine?
The IUPAC name of N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine (CID 141012625) is N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine is CCN(CCCCn1ccc2ccccc21)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine?
The InChIKey is QREPGOXJWPPIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-22(18-19-10-4-3-5-11-19)15-8-9-16-23-17-14-20-12-6-7-13-21(20)23/h3-7,10-14,17H,2,8-9,15-16,18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine?
N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine is sourced from PubChem (CID 141012625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).