N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine

C17H26N2O — CID 83162754

IUPACN-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
SMILESCOc1cccc2c1ccn2CCCCNC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-17(2,3)18-11-5-6-12-19-13-10-14-15(19)8-7-9-16(14)20-4/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyQLJSEBQINJRLBU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds6

About N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine

N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine (PubChem CID 83162754) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
PubChem CID83162754
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
SMILESCOc1cccc2c1ccn2CCCCNC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-17(2,3)18-11-5-6-12-19-13-10-14-15(19)8-7-9-16(14)20-4/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyQLJSEBQINJRLBU-UHFFFAOYSA-N
XLogP3.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
1-heptyl-4-methoxyindole
CID 83174164
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
3-chloro-N-[2-(4-methoxyindol-1-yl)ethyl]aniline
CID 83164894
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
1-(2-tert-butylsulfonylethyl)-4-methoxyindole
CID 106731603
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine (CID 83162754) is N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine is COc1cccc2c1ccn2CCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine?
The InChIKey is QLJSEBQINJRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)18-11-5-6-12-19-13-10-14-15(19)8-7-9-16(14)20-4/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine?
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine is sourced from PubChem (CID 83162754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).