1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C15H26N2O — CID 65053297

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCOCC(C(C)C)n1c(C)cc2c1CCCC2N
InChIInChI=1S/C15H26N2O/c1-10(2)15(9-18-4)17-11(3)8-12-13(16)6-5-7-14(12)17/h8,10,13,15H,5-7,9,16H2,1-4H3
InChIKeyFMGSQVMJUPQLDV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.98
Rot. Bonds4

About 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 65053297) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID65053297
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCOCC(C(C)C)n1c(C)cc2c1CCCC2N
InChIInChI=1S/C15H26N2O/c1-10(2)15(9-18-4)17-11(3)8-12-13(16)6-5-7-14(12)17/h8,10,13,15H,5-7,9,16H2,1-4H3
InChIKeyFMGSQVMJUPQLDV-UHFFFAOYSA-N
XLogP2.98
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 65053297) is 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is COCC(C(C)C)n1c(C)cc2c1CCCC2N.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is FMGSQVMJUPQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)15(9-18-4)17-11(3)8-12-13(16)6-5-7-14(12)17/h8,10,13,15H,5-7,9,16H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 65053297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).