1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C15H24N2O — CID 114120203

IUPAC1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCOC1CC(n2ccc3c2CC(C)(C)CC3N)C1
InChIInChI=1S/C15H24N2O/c1-15(2)8-13(16)12-4-5-17(14(12)9-15)10-6-11(7-10)18-3/h4-5,10-11,13H,6-9,16H2,1-3H3
InChIKeyWZDCTYJGSPGXAN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 114120203) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID114120203
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCOC1CC(n2ccc3c2CC(C)(C)CC3N)C1
InChIInChI=1S/C15H24N2O/c1-15(2)8-13(16)12-4-5-17(14(12)9-15)10-6-11(7-10)18-3/h4-5,10-11,13H,6-9,16H2,1-3H3
InChIKeyWZDCTYJGSPGXAN-UHFFFAOYSA-N
XLogP2.81
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 114120203) is 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is COC1CC(n2ccc3c2CC(C)(C)CC3N)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is WZDCTYJGSPGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)8-13(16)12-4-5-17(14(12)9-15)10-6-11(7-10)18-3/h4-5,10-11,13H,6-9,16H2,1-3H3.
What are the key properties of 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 114120203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).