4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline

C22H29N3 — CID 3525871

IUPAC4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
SMILESCCc1ccc2[nH]c(-c3ccc(N(C)C)cc3)c(CCCCN)c2c1
InChIInChI=1S/C22H29N3/c1-4-16-8-13-21-20(15-16)19(7-5-6-14-23)22(24-21)17-9-11-18(12-10-17)25(2)3/h8-13,15,24H,4-7,14,23H2,1-3H3
InChIKeyKVGGAHPIOJBMLK-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.74
Rot. Bonds7

About 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline

4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline (PubChem CID 3525871) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
PubChem CID3525871
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
SMILESCCc1ccc2[nH]c(-c3ccc(N(C)C)cc3)c(CCCCN)c2c1
InChIInChI=1S/C22H29N3/c1-4-16-8-13-21-20(15-16)19(7-5-6-14-23)22(24-21)17-9-11-18(12-10-17)25(2)3/h8-13,15,24H,4-7,14,23H2,1-3H3
InChIKeyKVGGAHPIOJBMLK-UHFFFAOYSA-N
XLogP4.74
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminobutyl)-2-[4-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid
CID 5167413
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3644424
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5138431
2-[3-(4-aminobutyl)-2-(4-tert-butylphenyl)-1H-indol-5-yl]acetic acid
CID 3972903
2-[3-(4-aminobutyl)-2-(4-methoxyphenyl)-1H-indol-5-yl]acetic acid
CID 3893491
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline (CID 3525871) is 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline is CCc1ccc2[nH]c(-c3ccc(N(C)C)cc3)c(CCCCN)c2c1.
What is the InChIKey of 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline?
The InChIKey is KVGGAHPIOJBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-4-16-8-13-21-20(15-16)19(7-5-6-14-23)22(24-21)17-9-11-18(12-10-17)25(2)3/h8-13,15,24H,4-7,14,23H2,1-3H3.
What are the key properties of 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline?
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline has a molecular weight of 335.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3525871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).