6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine

C11H19NO — CID 67060123

IUPAC6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1(C(C)(C)C)C=CC=CC1N
InChIInChI=1S/C11H19NO/c1-10(2,3)11(13-4)8-6-5-7-9(11)12/h5-9H,12H2,1-4H3
InChIKeyBKWGPCGRHMAUPJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds1

About 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine

6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 67060123) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID67060123
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1(C(C)(C)C)C=CC=CC1N
InChIInChI=1S/C11H19NO/c1-10(2,3)11(13-4)8-6-5-7-9(11)12/h5-9H,12H2,1-4H3
InChIKeyBKWGPCGRHMAUPJ-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine (CID 67060123) is 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine is COC1(C(C)(C)C)C=CC=CC1N.
What is the InChIKey of 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is BKWGPCGRHMAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)11(13-4)8-6-5-7-9(11)12/h5-9H,12H2,1-4H3.
What are the key properties of 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine?
6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67060123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).