4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine

C27H32N2 — CID 5010457

IUPAC4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1ccc2[nH]c(-c3ccc(C)c4ccccc34)c(CCCCN)c2c1
InChIInChI=1S/C27H32N2/c1-3-4-9-20-14-16-26-25(18-20)23(12-7-8-17-28)27(29-26)24-15-13-19(2)21-10-5-6-11-22(21)24/h5-6,10-11,13-16,18,29H,3-4,7-9,12,17,28H2,1-2H3
InChIKeyPAWMMWCLVOCKTQ-UHFFFAOYSA-N
MW384.57 g/mol
LogP6.92
Rot. Bonds8

About 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine

4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5010457) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID5010457
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCCCc1ccc2[nH]c(-c3ccc(C)c4ccccc34)c(CCCCN)c2c1
InChIInChI=1S/C27H32N2/c1-3-4-9-20-14-16-26-25(18-20)23(12-7-8-17-28)27(29-26)24-15-13-19(2)21-10-5-6-11-22(21)24/h5-6,10-11,13-16,18,29H,3-4,7-9,12,17,28H2,1-2H3
InChIKeyPAWMMWCLVOCKTQ-UHFFFAOYSA-N
XLogP6.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[5-butyl-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4287301
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-[2-(1-benzothiophen-2-yl)-5-butyl-1H-indol-3-yl]butan-1-amine
CID 4687429
4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3644424
4-[5-butyl-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3914756
4-[5-butyl-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5145781
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[5-tert-butyl-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4312932
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
2-[3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indol-5-yl]acetic acid
CID 5035920

Frequently Asked Questions

What is the IUPAC name of 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine (CID 5010457) is 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine is CCCCc1ccc2[nH]c(-c3ccc(C)c4ccccc34)c(CCCCN)c2c1.
What is the InChIKey of 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is PAWMMWCLVOCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-3-4-9-20-14-16-26-25(18-20)23(12-7-8-17-28)27(29-26)24-15-13-19(2)21-10-5-6-11-22(21)24/h5-6,10-11,13-16,18,29H,3-4,7-9,12,17,28H2,1-2H3.
What are the key properties of 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine?
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 384.57 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5010457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).