N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine

C15H24N2O — CID 80650058

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1cccc2c1NCC2)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-18-3)17-9-13-6-4-5-12-7-8-16-15(12)13/h4-6,11,14,16-17H,7-10H2,1-3H3
InChIKeyJQJQTWZXOOSDTR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine (PubChem CID 80650058) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
PubChem CID80650058
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1cccc2c1NCC2)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-18-3)17-9-13-6-4-5-12-7-8-16-15(12)13/h4-6,11,14,16-17H,7-10H2,1-3H3
InChIKeyJQJQTWZXOOSDTR-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine (CID 80650058) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine is COCC(NCc1cccc2c1NCC2)C(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
The InChIKey is JQJQTWZXOOSDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(10-18-3)17-9-13-6-4-5-12-7-8-16-15(12)13/h4-6,11,14,16-17H,7-10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 80650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).